data_2cqh_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 2cqh _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 ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.09 136.79 48.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.1 128.41 40.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.88 121.43 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.04 167.45 12.32 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.52 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 t30 70.83 41.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.3 112.6 25.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -50.85 151.46 4.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.0 6.29 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -13.03 16.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.22 135.49 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -121.65 162.36 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.84 62.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -42.92 92.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -67.35 -39.76 85.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.03 -47.43 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 31.8 ptt180 -66.69 -38.28 86.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 tt0 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 tp -67.06 -48.67 67.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.51 -38.54 90.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -31.24 69.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -89.85 19.4 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 60.82 32.43 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -127.36 80.14 72.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.11 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.401 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.3 mt -99.41 109.88 22.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.68 30.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.57 -132.57 2.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -119.82 153.99 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.3 t -122.02 139.19 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -128.72 133.81 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.1 114.95 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -109.98 158.43 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.5 t -67.6 92.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.69 -16.77 18.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.36 177.95 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.22 155.81 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.22 145.68 48.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.68 141.02 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.38 122.16 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 9.4 p90 -95.05 144.25 27.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.8 Cg_endo -69.83 -48.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.09 166.59 24.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.08 -39.65 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.458 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.7 t90 -65.06 -42.06 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.98 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.58 -44.96 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -69.97 -41.36 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.0 92.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.3 mt -61.57 -47.77 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -35.1 78.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.8 m -80.69 -25.29 38.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -100.35 -71.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.0 t -54.7 122.44 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.67 -2.9 71.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -131.41 11.75 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.6 t -146.52 131.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -119.57 132.52 55.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -124.1 125.59 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 62.17 29.23 17.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.52 3.86 90.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.541 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -119.19 131.0 55.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.4 mm -68.04 127.07 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.8 ptm -83.18 137.53 34.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -112.33 129.48 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 t -123.96 130.75 73.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -154.98 155.3 33.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -53.74 122.72 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 74' ' ' SER . 42.1 mttm . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.789 0.328 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.99 129.5 55.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -94.1 130.74 40.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -112.36 122.05 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.6 168.03 12.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.556 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.02 40.5 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -96.7 111.01 23.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -39.91 143.61 0.58 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.89 3.09 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.64 -18.65 13.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.2 t -56.04 160.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.4 p -144.47 160.07 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.1 -34.18 55.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -43.17 98.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.02 -37.67 81.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.84 -47.49 80.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.73 -41.01 92.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.43 -37.2 77.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 62' ' ' VAL . 47.4 tp -62.98 -48.59 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.671 ' CZ ' ' CD1' ' A' ' 58' ' ' LEU . 8.1 m-85 -62.89 -46.72 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -38.58 94.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.87 -24.81 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -95.55 18.86 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 57.34 35.31 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 mt -131.57 80.52 66.58 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.97 66.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.515 HD21 ' CD2' ' A' ' 23' ' ' PHE . 5.2 mt -102.03 111.77 24.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.28 27.71 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.34 -153.9 6.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 2.9 tp60 -96.33 152.51 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 60.8 t -117.82 136.57 54.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.4 tt -129.05 129.6 45.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -118.87 114.9 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 11.7 mmmt -110.05 158.96 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -67.91 92.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.51 14.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.542 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 p90 -157.04 176.85 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.27 152.54 31.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -124.08 139.14 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -134.81 141.02 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -89.81 121.91 32.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -91.55 144.65 29.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.76 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.1 163.05 30.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -62.9 -38.2 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.472 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 13.8 t-20 -66.09 -45.65 80.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.52 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 40.8 t90 -58.64 -42.07 87.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.44 79.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.1 mt -62.23 -44.8 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -68.81 -38.19 79.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.38 -46.76 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 59' ' ' SER . 48.1 mt -62.71 -47.66 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.72 -40.15 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 m -76.96 -24.23 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.671 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 mt -97.18 -73.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' ILE . 38.2 t -57.95 123.2 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.65 -16.88 55.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -128.27 20.72 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 55.3 t -147.91 127.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.06 136.4 52.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tp -125.87 121.08 32.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 63.64 25.24 14.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.85 -13.38 64.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -104.38 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.01 130.03 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.499 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 6.1 ptm -83.65 138.01 33.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -115.2 123.1 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.412 ' CG2' ' HB2' ' A' ' 59' ' ' SER . 13.2 t -115.07 133.68 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -149.28 148.74 29.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -47.08 139.89 5.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 6.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.17 135.27 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -93.95 128.75 40.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.21 121.39 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.19 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.57 166.12 12.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 t30 71.49 41.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.03 127.99 47.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -62.9 147.86 93.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.3 15.87 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.27 -21.66 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.12 142.81 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -124.03 164.71 18.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.88 -41.33 74.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.97 -40.52 85.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -66.49 -42.02 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.31 -47.62 85.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -61.98 -43.29 99.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.63 -34.72 76.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.46 HD23 ' CE ' ' A' ' 69' ' ' MET . 30.1 tp -61.28 -49.59 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -64.62 -45.02 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.88 -37.71 94.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.73 -24.14 67.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.7 mmt-85 -95.12 19.13 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 61.11 37.58 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 HD21 ' NE1' ' A' ' 50' ' ' TRP . 14.9 mt -133.45 81.06 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 125.49 12.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.46 98.65 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.41 34.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.35 -140.84 3.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -112.17 151.83 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.0 t -122.01 137.75 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -129.01 124.12 34.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.96 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 14.3 mmmt -110.1 159.26 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -67.95 92.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.68 -14.87 26.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.0 p90 -155.48 178.04 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -159.23 143.93 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.24 141.37 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.4 140.95 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -92.03 121.98 34.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 33.0 p90 -92.04 143.07 27.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.713 0.768 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.1 Cg_endo -69.67 -50.23 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -137.1 161.91 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.79 -38.63 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.98 -44.17 93.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.551 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 31.7 t90 -64.93 -42.04 95.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.62 -44.38 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -69.34 -33.47 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.92 -46.6 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 59' ' ' SER . 23.1 mt -64.51 -47.74 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.01 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -79.93 -24.4 41.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.4 mt -99.69 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.0 t -56.19 116.08 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.64 -6.68 72.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 10.31 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.491 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 29.2 t -146.9 129.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -119.74 130.79 55.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 tp -119.72 124.12 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 62.34 31.68 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.77 86.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -117.46 130.66 56.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -69.03 128.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.491 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.1 ptm -86.46 136.61 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -114.6 122.56 46.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.3 t -119.95 128.1 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.48 146.1 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -38.69 153.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.5 mttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 mt -112.97 137.69 50.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -98.45 118.92 36.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.82 123.89 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.91 163.86 12.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 70.38 42.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 87.4 mt -104.99 104.83 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -41.85 151.19 0.33 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.749 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.14 6.03 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB2' ' CE1' ' A' ' 65' ' ' HIS . . . -101.1 -16.2 17.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.28 140.96 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.2 p -124.31 155.75 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.43 67.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.5 -40.12 90.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.17 -38.6 82.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.57 -47.61 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 4.2 ptp180 -64.5 -42.77 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.0 -35.26 78.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 62' ' ' VAL . 28.6 tp -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -65.03 -46.6 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -35.23 91.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.416 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -60.95 -35.44 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.325 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -90.05 19.83 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.07 40.54 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.75 78.64 48.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 110.64 2.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.297 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.18 102.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.49 37.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.79 -159.44 9.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 29.3 tp60 -92.99 152.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 95.4 t -122.26 137.06 57.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tt -129.02 133.59 47.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 tp -118.65 114.72 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.2 mmtp -110.22 158.4 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -67.78 92.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.79 14.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.476 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.2 p90 -156.53 173.67 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . . . -147.84 149.53 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -119.65 119.28 33.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.98 140.92 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -91.52 126.17 36.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -99.22 144.2 27.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.79 -50.04 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.68 2.254 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.44 155.6 46.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.18 -38.13 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -62.05 -42.35 99.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.8 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 45.6 t90 -65.03 -44.77 88.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.62 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.6 -44.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -68.76 -39.93 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.59 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' SER . 19.9 mt -64.71 -47.46 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.98 -39.08 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.0 m -79.76 -23.02 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.4 mt -102.27 -74.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.1 t -52.36 117.69 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.81 45.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -121.18 18.6 11.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 39.1 t -147.66 128.8 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -110.56 143.66 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 tp -136.39 119.11 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.1 m-70 63.76 25.05 14.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.11 78.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -109.52 133.17 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.02 129.71 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.484 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.2 ptm -83.56 137.2 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -116.19 126.08 53.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 t -117.67 129.97 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -40.71 152.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 -179.879 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.94 137.12 48.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 128.92 40.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -113.15 120.67 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.37 169.1 12.89 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.74 34.78 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -95.88 133.65 39.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 t -65.66 142.34 98.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.67 0.748 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.29 5.91 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.35 -12.4 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.3 t -74.73 140.78 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.1 p -118.45 166.86 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.88 -31.12 48.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -66.73 -39.98 88.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.77 -41.48 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.76 -47.63 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.51 -39.96 94.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.16 -32.87 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.9 tp -67.03 -48.92 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.49 -35.93 82.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.37 -33.25 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.759 0.314 . . . . 0.0 110.794 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -86.9 14.06 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? 62.61 39.12 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 10.2 mt -128.05 79.88 73.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.23 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.46 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.04 -147.11 4.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 7.2 tp60 -100.57 151.56 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.469 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 20.8 t -122.21 137.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -129.05 127.09 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 tp -119.06 114.54 22.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.7 mmmt -110.47 160.6 16.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.2 m -68.36 91.36 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.09 -16.64 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.5 p90 -156.56 176.47 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.04 148.96 15.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -119.31 146.11 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.7 140.88 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.39 122.31 33.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -92.45 143.95 28.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.738 0.78 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.85 -38.22 7.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -150.74 166.34 30.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -64.11 -39.68 94.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -62.72 -45.79 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.464 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.3 t90 -60.5 -43.33 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.32 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.1 mt -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -69.68 -42.0 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.4 mt -64.08 -47.95 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.03 -36.05 82.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -80.94 -23.23 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.61 -67.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ILE . 11.2 t -54.96 117.49 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.11 -10.08 50.33 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -120.98 8.76 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.434 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 22.6 t -147.58 128.73 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -117.49 129.99 56.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.42 125.52 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 60.01 37.17 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.31 -4.3 42.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.538 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -109.97 131.39 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.687 0.28 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.9 mm -68.61 129.9 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.3 ptm -83.11 136.76 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -114.13 123.12 48.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.434 ' CG1' HG12 ' A' ' 55' ' ' ILE . 5.6 t -117.9 126.4 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -152.53 139.18 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -37.68 148.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mt -110.85 143.0 42.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -95.22 126.95 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mt -111.14 120.96 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.79 168.54 12.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.9 35.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -97.89 119.02 35.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.43 149.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.611 0.72 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.43 14.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.52 -19.04 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 144.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 p -124.62 161.02 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.51 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -58.97 -42.22 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.93 -38.21 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.66 -47.5 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.08 -44.64 91.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -66.12 -33.01 74.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.16 -49.49 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 10.5 m-85 -63.79 -43.02 97.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.79 -33.95 76.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -63.91 -24.64 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 2.5 mmp_? -96.64 19.37 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.41 37.23 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.85 80.62 48.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.643 0.735 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 132.88 24.25 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD23 ' CH2' ' A' ' 50' ' ' TRP . 12.1 mt -75.36 114.33 13.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.74 34.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.93 -150.7 5.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.28 154.8 18.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.05 136.77 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -128.58 124.51 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -110.91 114.83 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 19.3 mmmt -110.1 159.37 17.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -68.28 91.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.85 21.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.475 ' CE2' ' HG3' ' A' ' 37' ' ' LYS . 7.9 p90 -156.14 178.05 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.74 150.33 17.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -118.2 143.97 46.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 m -135.84 140.95 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.41 123.88 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -101.0 144.62 28.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.904 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -145.18 165.34 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.7 -33.79 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.83 -46.11 89.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CH2' HD23 ' A' ' 30' ' ' LEU . 33.1 t90 -65.87 -44.94 83.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.12 -50.9 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.3 mt -59.24 -43.09 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -70.0 -38.03 75.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.35 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 30.2 mt -64.78 -47.67 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.0 -36.9 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 75.5 m -80.49 -29.77 37.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 45.9 mt -95.19 -67.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.6 t -56.75 113.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 1.46 89.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -133.87 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.457 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 25.2 t -147.49 130.72 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -120.4 130.79 54.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.0 tp -120.21 127.19 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 59.96 26.29 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.96 -9.6 71.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -104.35 131.06 52.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.18 129.9 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.3 ptm -84.25 135.59 34.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -112.82 127.35 56.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.45 ' CG1' HG12 ' A' ' 55' ' ' ILE . 2.4 t -120.65 131.13 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -152.21 145.32 24.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.6 139.8 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.838 -179.808 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.14 137.76 53.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -93.98 129.67 40.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -109.5 127.78 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.38 166.89 12.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.451 ' ND2' ' HB3' ' A' ' 67' ' ' LYS . 3.7 t30 66.64 50.88 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.3 110.38 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -46.27 150.95 1.02 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.11 20.22 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.17 -15.97 22.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 64' ' ' LEU . 88.2 t -56.72 145.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -127.07 155.27 43.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.79 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.06 -40.1 87.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.43 -47.4 82.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 15.7 ptm180 -67.12 -43.45 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.2 mm100 -66.92 -39.72 87.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' A' ' 62' ' ' VAL . 15.8 tp -60.26 -48.17 82.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 8.9 m-85 -62.26 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.42 -35.73 92.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.83 -37.2 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.03 19.25 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp 60.78 28.85 18.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -113.21 77.82 3.02 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.692 0.758 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.48 2.56 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.742 2.295 . . . . 0.0 112.381 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.531 HD21 ' CH2' ' A' ' 50' ' ' TRP . 11.0 mt -66.69 107.71 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.83 -152.25 5.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.509 ' NE2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.03 157.04 17.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 40.2 t -122.1 135.73 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' CD1' ' NE2' ' A' ' 33' ' ' GLN . 4.0 mp -124.42 128.06 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -112.72 114.4 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 13.6 mmtp -110.58 159.09 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 t -67.24 96.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.14 -19.04 23.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CD1' ' HB2' ' A' ' 37' ' ' LYS . 18.2 p90 -157.01 175.01 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.09 144.53 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -109.51 146.08 35.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.62 140.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.87 121.94 33.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -102.23 145.35 30.35 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -142.91 163.52 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -58.35 -36.4 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -61.94 -44.38 96.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.531 ' CH2' HD21 ' A' ' 30' ' ' LEU . 41.3 t90 -62.19 -43.58 98.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -50.72 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.3 mt -61.35 -45.04 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -68.26 -34.24 75.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.02 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.8 mt -64.24 -48.05 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.08 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.8 -25.91 37.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.567 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 68.9 mt -104.27 -72.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.5 t -51.7 124.1 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.98 4.98 88.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -129.3 -30.27 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.425 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 13.5 p -118.42 143.74 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HB2' ' C ' ' A' ' 67' ' ' LYS . 23.6 pm0 -132.15 145.02 51.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' CD2' HG22 ' A' ' 14' ' ' VAL . 6.8 tp -115.46 128.45 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 63.86 26.67 14.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.3 81.82 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HB3' ' ND2' ' A' ' 9' ' ' ASN . 41.2 mttm -105.13 130.42 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.0 mm -68.01 130.05 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.425 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.1 ptm -90.86 136.02 33.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.86 126.61 55.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.443 ' CG1' HG12 ' A' ' 55' ' ' ILE . 61.6 t -111.76 126.39 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.9 t70 -153.66 144.1 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.6 m-85 -34.49 144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.867 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HZ1' ' N ' ' A' ' 44' ' ' ASP . 17.7 mtpp . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.774 0.321 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.1 mt -110.73 141.31 44.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 2.8 t80 -98.32 129.14 45.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.418 HG22 ' CD1' ' A' ' 10' ' ' LEU . 51.1 mt -110.88 123.02 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.53 161.26 12.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 73.08 46.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' A' ' 7' ' ' ILE . 95.8 mt -106.84 113.61 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -44.83 147.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.741 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -1.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.55 -18.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.6 t -57.39 140.63 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 p -119.48 158.36 26.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.8 -33.53 64.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -40.39 92.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.793 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -41.56 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.34 -47.52 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -65.49 -41.81 92.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -34.69 77.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 ' CE ' ' A' ' 69' ' ' MET . 31.4 tp -64.18 -48.93 74.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.615 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.4 m-85 -60.96 -44.84 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.18 91.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -32.99 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 19.9 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? 63.2 25.83 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.94 78.71 7.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.715 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 113.53 3.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.12 119.82 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.62 19.41 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.21 -144.38 4.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.55 163.26 14.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 35' ' ' LEU . 61.9 t -122.16 144.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.403 ' N ' HG11 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -129.06 135.88 49.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -113.59 114.36 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 19.9 mmmt -110.46 158.35 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -69.16 86.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.6 -11.02 18.89 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 2.7 p90 -157.07 177.99 10.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.908 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.51 144.85 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -109.5 146.07 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.21 140.83 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.455 ' N ' ' HZ1' ' A' ' 4' ' ' LYS . 3.3 t70 -92.24 124.32 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -102.66 146.71 32.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -142.89 163.85 31.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -62.03 -45.66 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 t90 -61.21 -42.07 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.69 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -60.52 -42.52 91.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.77 -39.96 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.23 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' SER . 31.1 mt -61.84 -47.7 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.69 -38.31 89.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -79.26 -23.53 43.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 72.9 mt -101.16 -72.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.0 t -55.02 117.42 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.36 -10.79 62.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 5.85 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' A' ' 22' ' ' LEU . 54.9 t -148.02 133.67 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -132.18 148.0 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 tp -127.89 137.16 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 59.83 31.62 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.52 10.77 84.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -122.27 132.3 54.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.3 mm -67.94 127.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.459 ' CE ' HD23 ' A' ' 22' ' ' LEU . 7.4 ptm -87.35 131.94 34.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -108.97 123.01 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.76 128.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -150.82 154.02 36.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.28 163.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mttp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.3 142.99 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.49 127.04 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mt -111.18 122.1 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.194 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.87 168.22 12.51 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 70.83 41.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 mt -96.96 128.18 43.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -66.08 150.32 96.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.2 -14.66 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -67.86 137.73 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 p -122.12 163.24 19.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.6 -39.82 65.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.7 -40.38 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.74 -41.53 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.08 -47.49 85.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 12.2 ptm180 -66.0 -42.35 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.4 mm-40 -63.8 -33.29 75.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' CE ' ' A' ' 69' ' ' MET . 55.1 tp -68.22 -49.53 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 11.7 m-85 -64.1 -45.08 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.05 -34.41 88.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.416 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.23 -31.3 72.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.78 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.73 19.89 3.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER 62.42 26.66 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.59 80.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.9 31.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mt -85.92 105.65 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 35.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.28 -146.04 4.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -106.22 154.3 20.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 51.1 t -122.02 135.74 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.72 127.46 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.83 114.89 27.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -110.12 158.29 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -67.03 94.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.58 -18.84 22.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -155.93 177.92 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.98 153.18 27.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -120.13 138.26 53.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.57 140.99 46.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -94.55 122.37 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.411 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 13.1 p90 -95.52 146.84 32.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.726 0.774 . . . . 0.0 110.87 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -47.92 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.742 2.295 . . . . 0.0 112.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -140.05 169.08 18.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.12 -38.42 85.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -62.5 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -65.4 -42.24 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -63.08 -50.11 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.74 -44.98 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -70.0 -38.67 76.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.87 77.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.37 -47.81 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.78 -37.19 85.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 m -80.99 -27.89 35.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.486 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 72.3 mt -90.78 -71.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -57.06 122.75 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.4 -7.65 63.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -129.98 4.52 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.7 t -145.03 135.06 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -131.39 140.04 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.72 132.7 55.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 61.45 44.12 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.98 11.25 43.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -122.61 135.71 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.708 0.289 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.1 mm -71.59 128.34 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.433 ' CE ' HD21 ' A' ' 22' ' ' LEU . 5.6 ptm -89.88 136.36 33.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -113.15 127.86 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.7 t -121.51 134.48 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -150.93 144.99 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -45.11 147.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.849 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 mttm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.833 0.349 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -110.16 133.9 52.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.7 OUTLIER -94.07 130.42 40.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -111.24 122.17 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.26 162.86 12.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 72.3 40.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.842 0.354 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 mt -93.89 121.12 35.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.81 149.78 8.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.15 -16.95 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.46 130.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.2 p -117.44 158.32 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.7 64.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.07 -42.58 98.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.63 -39.33 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.14 -47.5 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -62.69 -44.3 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -66.33 -39.06 88.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' CE ' ' A' ' 69' ' ' MET . 21.1 tp -61.81 -47.2 86.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.58 -44.31 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.32 -35.22 91.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.87 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -90.2 18.07 6.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 42.18 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.69 80.85 60.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 129.0 16.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.45 101.42 6.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.0 38.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.4 -143.48 3.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -108.5 154.21 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.7 t -122.04 135.45 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.95 128.14 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -112.76 114.83 27.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 21.7 mmtm -110.2 158.81 17.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -67.31 94.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.26 -18.29 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.8 p90 -156.61 176.57 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.3 148.3 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -114.24 145.27 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.0 m -140.93 141.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -93.27 124.98 37.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -96.17 144.12 27.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.69 -47.02 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -139.7 165.66 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.54 -39.99 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -62.59 -45.41 93.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.515 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.9 t90 -61.84 -41.98 98.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.26 93.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.3 -45.06 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -69.94 -38.5 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.83 80.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' SER . 38.6 mt -62.84 -47.62 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.73 -37.93 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.9 m -80.05 -26.38 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.71 -69.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.4 t -57.48 112.96 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.62 -0.71 85.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -132.41 5.94 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 75.5 t -147.02 133.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.8 148.84 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 tp -130.05 133.52 46.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 61.04 25.25 15.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.22 2.47 89.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -110.86 136.36 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.45 125.59 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.49 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 7.2 ptm -88.3 134.23 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -113.64 136.65 52.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.4 131.28 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -155.2 153.6 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -46.76 126.94 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.3 mttt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -113.22 145.1 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 1.1 t80 -94.88 129.58 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.41 120.21 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.84 167.82 12.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.22 35.58 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.931 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -96.17 121.12 37.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.43 143.66 13.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.11 -14.49 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.6 151.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.6 p -129.08 155.0 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.98 -36.52 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.85 -41.05 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.69 -41.01 88.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.04 -47.55 84.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -63.93 -44.79 91.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -40.17 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.94 -48.85 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 12.0 m-85 -64.48 -38.27 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.48 -40.81 67.69 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.88 -23.55 66.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 mmt-85 -92.47 18.78 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm 60.55 36.09 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 23.5 mt -131.99 81.14 63.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.8 18.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.746 2.297 . . . . 0.0 112.303 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.553 HD22 ' CD2' ' A' ' 23' ' ' PHE . 8.2 mt -85.13 104.36 14.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.58 36.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -153.69 6.21 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 4.1 tp-100 -96.76 152.09 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.473 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 88.3 t -122.24 134.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.82 131.41 47.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -116.74 114.72 24.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 23.3 mmtp -110.26 158.93 17.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 m -67.42 94.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.788 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 -17.41 25.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 20.1 p90 -156.38 178.03 10.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.904 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.22 155.94 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -121.61 135.61 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.1 m -130.26 140.95 47.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -93.52 122.01 35.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -95.65 144.33 27.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.738 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -46.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.71 162.19 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.7 -38.41 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -62.19 -41.5 98.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.76 -41.95 91.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.1 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -70.06 -29.33 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.02 -45.88 55.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 59' ' ' SER . 24.1 mt -62.73 -47.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.4 m -75.9 -27.1 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 91.2 mt -103.84 -75.05 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' ILE . 39.0 t -55.71 124.6 17.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.25 -3.75 70.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -124.3 -16.22 6.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 4.4 p -136.08 143.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -128.98 146.79 50.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -121.5 133.76 55.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 63.92 25.03 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.33 -2.3 87.48 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.436 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' C ' ' HB2' ' A' ' 63' ' ' GLU . 25.6 mtpp -112.94 134.76 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 63' ' ' GLU . 15.6 mm -68.79 130.02 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 4.1 ptm -84.51 138.29 32.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -117.17 123.69 47.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.56 130.22 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.5 t70 -155.6 140.07 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 91.0 m-85 -36.2 132.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.804 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.7 mttp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.15 138.98 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -94.47 122.99 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -102.98 122.03 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.41 168.86 12.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.22 46.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 78.5 mt -108.25 109.74 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -47.77 154.92 0.87 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -2.95 11.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' A' ' 65' ' ' HIS . . . -100.66 -13.62 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG2' HD23 ' A' ' 64' ' ' LEU . 57.7 t -58.47 144.3 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 p -128.64 155.52 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' N ' HD21 ' A' ' 36' ' ' LEU . . . -55.33 -40.19 70.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.71 -40.67 88.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.799 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.95 -47.44 83.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -62.5 -45.05 94.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.96 -31.67 71.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 62' ' ' VAL . 16.3 tp -64.26 -48.86 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.464 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.4 m-85 -64.96 -40.73 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.36 -35.76 91.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 19.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 59.75 39.25 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -121.47 80.15 38.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 110.05 2.47 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.328 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 23' ' ' PHE . 13.4 mt -66.47 100.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.63 37.29 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -154.78 6.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 25.5 tp60 -97.83 152.3 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 46.2 t -122.14 136.42 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -128.95 130.69 47.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 16' ' ' ALA . 53.6 tp -110.54 114.88 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 31.5 mmtm -110.22 158.03 18.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 t -68.0 90.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.69 -15.03 22.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.1 p90 -156.35 178.13 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB1' ' CD1' ' A' ' 10' ' ' LEU . . . -155.11 151.16 27.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.1 128.5 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.24 140.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.85 123.16 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -98.87 145.27 29.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.984 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.46 3.4 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.1 160.0 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.84 -36.69 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -62.09 -45.96 91.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -60.85 -42.44 97.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.77 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -60.84 -45.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 -69.44 -35.04 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.75 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' SER . 22.6 mt -62.99 -47.91 90.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.94 -39.17 93.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.4 m -80.24 -22.02 42.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 66.6 mt -102.43 -70.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.5 t -51.0 122.01 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.91 -14.03 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -107.11 -10.63 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 9.2 p -129.92 128.4 64.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -111.53 129.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.448 HD23 ' CG2' ' A' ' 14' ' ' VAL . 12.9 tp -118.85 119.69 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.455 ' CE1' ' CB ' ' A' ' 13' ' ' ALA . 6.6 m-70 64.0 36.29 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.44 -1.83 59.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -116.55 128.88 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 15.7 mm -67.82 130.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.476 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 10.3 ptm -87.98 138.25 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -113.43 123.44 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.43 126.05 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -154.44 141.46 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.6 m-85 -35.42 148.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.839 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.9 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.767 0.318 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.0 137.89 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 124.86 38.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mt -109.73 120.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.01 168.53 12.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.72 43.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 81.8 mt -104.08 118.44 36.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -48.45 143.65 7.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' ' CE1' ' A' ' 65' ' ' HIS . . . -106.44 -15.75 14.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 65' ' ' HIS . 54.3 t -67.65 146.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -126.47 174.14 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.07 75.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.6 -41.8 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -68.43 -42.89 78.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 11.8 ptm180 -66.15 -41.04 90.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.6 tt0 -68.09 -35.44 78.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.89 -49.87 70.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.553 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 10.8 m-85 -63.96 -40.27 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.74 93.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -59.24 -33.42 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.02 19.02 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt 59.47 42.44 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 16.9 mt -124.59 76.51 63.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 109.33 2.27 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.724 2.282 . . . . 0.0 112.391 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.4 100.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.21 41.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.54 -130.84 1.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -119.0 151.43 38.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.06 135.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.03 132.38 47.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -117.82 114.96 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 24.5 mmtp -110.1 158.95 17.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -68.31 90.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 -14.88 17.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.0 p90 -155.83 177.34 11.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . . . -157.82 151.47 23.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.34 137.82 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.48 140.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -91.72 121.98 33.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -92.09 143.66 27.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.72 0.771 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.75 -49.95 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.414 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -139.64 167.5 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -62.83 -38.71 91.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -64.26 -42.79 96.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 36.8 t90 -62.88 -42.78 99.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.69 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.53 -44.05 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -69.67 -38.08 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -47.01 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' SER . 28.8 mt -62.4 -48.12 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.56 -40.46 94.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 m -79.23 -22.56 44.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.553 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 87.4 mt -99.86 -70.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.0 t -56.49 115.74 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.67 -4.47 78.77 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -126.53 8.8 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 58' ' ' LEU . 87.4 t -147.36 130.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.06 146.84 34.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 tp -137.2 119.94 16.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 33.5 m-70 62.54 25.91 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.64 -13.07 65.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -104.61 131.71 51.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.01 129.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ptm -83.01 132.73 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -113.74 125.73 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 55' ' ' ILE . 21.3 t -118.6 127.46 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' TYR . 1.1 m-20 -150.3 136.82 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' ASP . 34.2 m-85 -34.54 136.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.8 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt -110.01 131.74 54.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.04 127.46 39.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.8 mt -109.17 122.0 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.52 162.97 12.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 45.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.59 116.29 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -46.47 143.27 4.02 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.721 0.772 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 0.29 5.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.87 -18.09 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 15' ' ' THR . 71.3 t -60.32 158.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.438 ' N ' HG13 ' A' ' 14' ' ' VAL . 75.8 p -140.68 161.41 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.33 -31.4 33.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.33 -42.19 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.08 -38.91 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.78 -47.55 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -63.94 -44.08 93.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -68.29 -31.17 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.46 -49.97 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.41 -42.33 87.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.01 -36.54 93.61 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.43 -34.03 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -85.41 19.29 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 59.62 38.12 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.19 80.66 68.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.551 0.691 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.52 13.42 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.87 110.77 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.32 29.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.19 -142.18 3.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -109.34 157.59 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -122.04 135.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.67 128.88 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.423 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 17.1 tp -119.14 114.4 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 36' ' ' LEU . 2.8 mptt -106.92 162.36 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 p -69.21 89.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.18 -14.11 13.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.7 p90 -156.87 178.04 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.915 0.388 . . . . 0.0 110.982 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.25 146.81 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -116.72 146.07 43.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.12 140.89 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -89.65 128.02 36.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 29.3 p90 -99.19 144.08 27.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.97 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.6 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.17 174.58 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.09 -40.55 74.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.2 -45.45 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 28.8 t90 -63.07 -42.06 99.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.416 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -62.73 -50.94 69.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.5 -44.96 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -68.56 -37.39 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.08 77.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' SER . 37.4 mt -63.09 -48.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.33 -36.5 78.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.5 m -80.04 -27.0 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 44.0 mt -97.49 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.3 t -53.65 108.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.13 -18.32 57.05 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -118.7 17.52 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 58' ' ' LEU . 30.9 t -146.4 134.35 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -126.41 130.99 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 tp -118.54 120.68 38.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 63.68 28.16 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.33 1.28 89.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -113.84 127.87 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.309 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -67.99 129.2 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.8 ptm -88.46 137.87 31.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -115.09 125.88 54.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.408 ' CG1' HG12 ' A' ' 55' ' ' ILE . 3.7 t -121.35 127.51 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -150.5 144.38 25.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -39.15 123.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.844 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.3 mt -110.06 135.64 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.13 128.75 40.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.0 mt -107.58 123.74 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.9 170.96 13.54 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 68' ' ' ILE . 2.6 t30 65.93 41.51 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -104.8 138.18 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -80.04 153.75 74.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.716 0.77 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -15.44 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.86 -18.81 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.4 146.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.3 p -126.69 159.44 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.28 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -63.26 -41.13 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.17 -42.65 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.95 -47.58 85.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.61 -39.12 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.69 -31.24 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 tp -70.13 -45.51 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -66.25 -37.82 86.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.36 -39.13 87.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.94 -23.87 66.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 1.3 mmp_? -91.26 19.57 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 58.85 26.7 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -126.3 76.12 72.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 152.2 69.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.391 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 34' ' ' VAL . 4.1 mt -103.92 131.65 50.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.3 26.2 9.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA3' ' CG ' ' A' ' 44' ' ' ASP . . . -139.11 -139.59 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.507 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -112.17 155.48 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 30' ' ' LEU . 58.7 t -122.12 136.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.09 136.09 49.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -117.49 114.73 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.4 mmmp? -110.3 157.6 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 p -67.0 93.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.72 -18.94 16.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.4 p90 -156.1 176.69 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.388 . . . . 0.0 110.94 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.92 151.39 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -117.0 128.9 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.63 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 44' ' ' ASP . 1.1 t0 -86.87 125.27 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.6 p90 -102.25 143.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.31 164.3 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -60.43 -38.33 83.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -62.0 -44.92 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.25 -42.05 97.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.99 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -65.0 -44.94 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -69.38 -30.24 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.87 -43.43 62.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.0 mt -64.9 -48.13 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 96.0 m -76.81 -29.1 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.432 ' CD2' ' HG3' ' A' ' 26' ' ' ARG . 68.7 mt -100.18 -73.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.9 p -51.04 128.92 22.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.44 -10.63 35.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 57' ' ' THR . 4.8 ttmm -121.73 -14.31 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.486 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 38.7 t -117.69 131.47 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -122.74 133.09 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 tp -119.62 125.33 48.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 60.3 38.63 19.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.92 -4.41 30.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -108.63 129.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.405 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 11.6 mm -68.03 128.95 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.486 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.4 ptm -83.72 136.65 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.58 126.38 54.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.79 126.38 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.13 157.21 40.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -44.15 153.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mt -117.35 142.26 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 1.8 t80 -94.03 130.68 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 mt -117.78 121.19 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.56 161.66 12.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 74.82 50.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 95.8 mt -109.96 109.6 20.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 150.46 0.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.805 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.81 10.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.28 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.83 -19.43 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 15' ' ' THR . 83.7 t -58.7 136.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.432 ' N ' HG12 ' A' ' 14' ' ' VAL . 74.7 p -125.93 161.83 26.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.24 -31.78 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.39 -42.25 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.5 -40.86 80.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.64 -47.52 85.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -67.16 -38.24 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -70.09 -36.22 74.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.5 tp -68.44 -43.31 77.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.476 ' CD2' ' CD2' ' A' ' 30' ' ' LEU . 5.0 m-85 -66.33 -42.61 87.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.8 -31.65 73.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.45 -34.2 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 7.5 mmp_? -87.48 16.82 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 61.32 40.85 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.99 80.93 70.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.71 10.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 7.9 mt -74.1 104.55 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.06 39.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.04 -138.12 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.41 152.78 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -122.06 129.75 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.08 133.35 55.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 tp -118.94 114.92 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 1.4 mptp? -109.83 159.14 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -68.78 89.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 -13.74 16.16 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -157.03 176.28 12.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . . . -158.04 150.76 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.8 m-85 -120.82 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.9 140.89 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -95.11 124.98 39.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -104.46 146.92 33.53 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.684 0.755 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.2 165.31 25.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -65.06 -34.03 77.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.72 -45.52 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -65.08 -42.18 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.17 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.35 -43.31 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -69.98 -30.62 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.44 -46.36 64.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.6 mt -64.11 -47.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.43 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 18.7 m -77.16 -23.85 51.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.074 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 61.9 mt -100.37 -71.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.4 t -55.13 114.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.97 -14.94 57.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -121.78 12.77 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 39.6 t -146.89 131.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -122.68 133.67 54.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 tp -124.53 127.23 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 60.11 37.04 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.2 -6.55 28.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -109.57 129.25 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.319 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 mm -68.16 129.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.9 ptm -83.67 134.21 34.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -111.54 125.65 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.95 134.39 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.03 152.36 32.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -48.72 123.32 6.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.766 0.317 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -111.88 130.24 55.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.01 118.11 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.4 125.13 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.99 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.503 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.13 50.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.39 114.36 27.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 p -45.67 151.58 0.79 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.744 0.783 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.29 13.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.86 -14.53 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG2' HD22 ' A' ' 64' ' ' LEU . 75.5 t -52.76 144.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p -130.72 155.25 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.15 64.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -41.39 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -64.27 -42.56 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.82 -47.39 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.33 -40.47 77.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -68.92 -32.2 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' CD2' ' CE ' ' A' ' 69' ' ' MET . 21.1 tp -71.68 -49.7 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.483 ' CD2' HD22 ' A' ' 30' ' ' LEU . 9.6 m-85 -64.0 -42.86 97.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -39.16 96.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.88 -29.81 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -88.74 16.65 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 62.76 31.04 16.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.1 80.9 67.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 111.012 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.62 145.42 57.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' A' ' 23' ' ' PHE . 4.0 mt -95.59 101.47 13.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.46 42.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.19 -129.93 1.45 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -120.43 148.21 44.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 30' ' ' LEU . 45.1 t -122.3 118.87 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.33 129.34 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 tp -112.46 115.13 28.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.3 mmmp? -109.8 158.91 17.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m -68.34 90.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.22 -14.5 18.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.5 p90 -155.73 176.17 12.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.67 148.24 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -116.34 146.14 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.51 140.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -91.32 122.26 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -94.62 144.37 27.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.95 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.14 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -139.74 165.14 28.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.11 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -62.18 -42.58 99.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -63.76 -42.32 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.8 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.4 mt -58.98 -44.39 90.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -70.06 -30.18 67.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -43.07 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.6 mt -65.02 -47.93 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.94 -41.36 99.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.5 m -76.61 -31.55 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.422 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 29.6 mt -97.63 -71.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.8 p -53.48 124.49 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.84 73.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.53 4.52 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG1' HD21 ' A' ' 22' ' ' LEU . 94.6 t -140.6 130.46 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HG3' ' C ' ' A' ' 67' ' ' LYS . 45.3 tt0 -122.37 130.01 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.418 HD22 ' CG2' ' A' ' 14' ' ' VAL . 11.1 tp -116.5 121.97 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 59.72 43.08 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.14 -1.57 17.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.42 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 18.4 mmtm -109.34 126.98 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.703 0.287 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mm -69.62 128.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.479 ' CE ' ' CD2' ' A' ' 22' ' ' LEU . 6.5 ptm -86.29 132.34 34.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -115.64 121.94 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.99 128.3 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -154.07 151.91 29.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -55.46 141.5 36.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.879 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.759 0.314 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.01 139.89 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.54 128.4 44.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -112.65 120.72 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.32 167.08 12.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 71.08 41.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.61 113.61 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -45.72 143.26 3.19 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 2.02 3.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.13 -21.02 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 15' ' ' THR . 94.7 t -62.58 159.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.45 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 24.9 p -140.0 163.8 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.93 -36.31 62.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.93 -44.73 91.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 18.7 m-20 -66.88 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.71 -47.48 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -66.79 -39.89 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.88 -32.46 70.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 tp -66.53 -49.57 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.544 ' CD2' HD22 ' A' ' 30' ' ' LEU . 10.6 m-85 -61.13 -46.97 88.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.36 -37.38 94.75 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.05 -29.01 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -92.06 19.83 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 59.3 36.23 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -132.45 80.86 61.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.46 57.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' A' ' 23' ' ' PHE . 3.5 mt -90.69 120.16 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.53 31.1 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.77 -150.49 5.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -99.71 154.77 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.8 t -122.12 128.89 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.35 131.95 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -119.06 114.8 23.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mptp? -110.02 159.25 17.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.6 m -69.17 88.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -13.22 13.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.2 p90 -156.63 177.4 11.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.27 151.81 19.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.5 m-85 -123.28 145.91 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 m -137.29 140.96 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -91.34 121.98 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -91.74 144.22 29.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.7 -44.72 1.95 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -143.31 162.7 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -62.76 -37.58 87.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.4 -40.53 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.0 t90 -65.1 -42.83 93.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.27 96.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -64.7 -44.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -44.94 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.99 -48.0 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.05 -38.06 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.4 -27.16 38.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.26 -74.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 t -51.11 127.42 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.41 -13.37 22.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -123.41 15.84 9.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.428 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 54.4 t -146.72 128.2 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.76 130.47 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.1 tp -119.62 119.54 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 62.76 34.19 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.87 -7.71 53.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -107.65 130.88 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.6 mm -68.0 128.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.428 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.6 ptm -84.5 133.39 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.25 127.46 55.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -118.96 127.39 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.7 m-20 -149.1 138.67 21.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ASP . 24.8 m-85 -35.67 139.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.785 0.326 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -109.96 138.31 46.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.04 131.77 39.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.12 122.0 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.47 162.54 12.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 t30 72.86 44.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -103.6 112.76 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 p -48.89 152.76 1.68 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 0.74 5.25 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 -23.85 13.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -48.15 133.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.7 p -116.72 160.06 21.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.96 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -62.92 -40.03 96.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.42 -47.51 83.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.43 -38.4 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -69.81 -32.58 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.16 -49.6 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.0 m-85 -62.32 -41.81 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.02 93.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.52 -31.21 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.418 ' NH2' HG23 ' A' ' 57' ' ' THR . 10.7 mmm180 -89.51 20.0 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 62.42 30.55 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.3 mt -121.2 80.91 36.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 121.67 8.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.54 108.75 13.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.09 34.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.6 -166.75 12.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -84.23 153.67 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.3 t -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -123.0 129.99 52.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.11 114.75 22.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -109.64 159.81 16.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -67.87 92.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.89 -16.77 18.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 9.2 p90 -155.9 177.73 11.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.47 152.83 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.43 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 10.5 m-85 -121.95 144.49 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m -134.12 140.9 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.01 121.99 33.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -93.12 144.11 27.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.438 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.5 Cg_endo -69.75 -46.52 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -142.95 158.95 43.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -56.37 -40.94 75.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -42.92 99.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.438 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.0 t90 -63.23 -42.07 99.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.21 93.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.56 -44.65 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.01 -46.5 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.7 mt -63.87 -47.61 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -62.85 -43.02 99.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.418 HG23 ' NH2' ' A' ' 26' ' ' ARG . 55.5 m -74.59 -25.23 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 98.4 mt -97.42 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 24.6 t -55.25 117.69 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.37 -10.33 73.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -134.77 13.8 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.3 t -147.82 132.7 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 24.6 pm0 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 tp -128.82 133.38 47.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 62.71 31.15 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 3.33 85.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -114.67 128.04 56.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 63' ' ' GLU . 10.9 mm -68.19 125.8 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.6 ptm -88.1 135.76 33.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -114.66 128.09 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.28 131.62 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -157.27 143.4 17.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.8 m-85 -35.69 126.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.856 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.4 mttp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -114.61 142.25 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 3.3 t80 -96.54 132.03 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.54 122.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.56 171.05 13.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 66.31 48.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 40' ' ' TYR . 80.2 mt -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p -49.89 151.54 3.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.08 6.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.751 2.301 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.81 -12.53 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -68.69 134.21 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -117.67 161.66 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.1 -38.13 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -61.66 -41.65 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.26 -44.09 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.03 -47.5 84.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -65.88 -44.53 85.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.16 -34.47 78.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.9 tp -65.18 -46.77 79.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.2 m-85 -66.15 -41.65 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.42 82.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.15 -31.99 73.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -89.79 20.04 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm 60.75 29.52 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -122.56 81.24 47.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.4 42.37 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' A' ' 23' ' ' PHE . 5.7 mt -87.41 113.14 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.52 32.36 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.33 -135.98 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -117.4 154.65 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.5 t -122.08 140.12 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.9 136.08 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.5 tp -114.11 114.49 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' CB ' ' CE2' ' A' ' 40' ' ' TYR . 51.4 mmtt -110.35 158.27 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -69.51 84.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.49 18.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.516 ' CE2' ' CB ' ' A' ' 37' ' ' LYS . 2.1 p90 -156.73 177.93 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.52 147.58 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.28 139.4 49.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.61 140.93 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -97.84 123.16 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.419 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 52.5 p90 -94.98 143.93 26.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.708 0.766 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.76 2.306 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -133.81 152.33 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -55.04 -38.52 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -62.45 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -63.8 -42.07 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.419 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -60.75 -49.4 77.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.24 -44.61 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -68.42 -34.44 76.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -46.23 54.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.448 HG12 ' CG1' ' A' ' 71' ' ' VAL . 31.4 mt -64.17 -47.99 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.95 -40.87 98.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -78.1 -21.99 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 78.6 mt -96.59 -74.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t -56.59 126.0 24.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 -17.58 52.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -129.47 12.91 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 58' ' ' LEU . 91.7 t -147.96 132.98 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.2 pm0 -134.75 147.69 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 tp -122.89 134.3 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 61.73 30.85 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.1 88.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -118.32 131.56 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.2 mm -68.57 128.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.1 ptm -91.65 136.46 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -108.72 131.2 55.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 55' ' ' ILE . 12.2 t -124.36 131.03 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.3 m-20 -154.72 136.87 14.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' ASP . 3.4 m-85 -36.59 139.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.873 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.2 p -114.18 100.8 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.841 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.2 m -154.52 166.08 34.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -173.88 136.83 3.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 80.2 p -87.71 115.77 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.6 p -38.59 150.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -169.14 -115.65 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.405 ' SD ' ' C ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -57.9 147.77 27.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -131.04 178.49 6.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -146.23 166.47 26.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.09 136.79 48.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.1 128.41 40.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.88 121.43 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.04 167.45 12.32 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.52 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.4 t30 70.83 41.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.3 112.6 25.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -50.85 151.46 4.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.0 6.29 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -13.03 16.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.22 135.49 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -121.65 162.36 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.84 62.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -42.92 92.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -67.35 -39.76 85.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.03 -47.43 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 31.8 ptt180 -66.69 -38.28 86.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 tt0 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 14.6 tp -67.06 -48.67 67.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.51 -38.54 90.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -31.24 69.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 mmt180 -89.85 19.4 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 60.82 32.43 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -127.36 80.14 72.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.11 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.401 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.3 mt -99.41 109.88 22.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.68 30.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.57 -132.57 2.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -119.82 153.99 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 42.3 t -122.02 139.19 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -128.72 133.81 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.1 114.95 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -109.98 158.43 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.5 t -67.6 92.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.69 -16.77 18.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.36 177.95 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.22 155.81 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.22 145.68 48.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.68 141.02 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.38 122.16 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 9.4 p90 -95.05 144.25 27.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.458 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.8 Cg_endo -69.83 -48.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.09 166.59 24.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.08 -39.65 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.458 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.7 t90 -65.06 -42.06 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.98 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.58 -44.96 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -69.97 -41.36 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.0 92.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.3 mt -61.57 -47.77 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -35.1 78.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 78.8 m -80.69 -25.29 38.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 71.5 mt -100.35 -71.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.0 t -54.7 122.44 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.67 -2.9 71.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -131.41 11.75 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 84.6 t -146.52 131.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -119.57 132.52 55.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -124.1 125.59 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.6 m-70 62.17 29.23 17.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.52 3.86 90.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.541 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -119.19 131.0 55.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.4 mm -68.04 127.07 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.8 ptm -83.18 137.53 34.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -112.33 129.48 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 t -123.96 130.75 73.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -154.98 155.3 33.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -53.74 122.72 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -68.62 86.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.71 144.5 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.0 t -122.08 -60.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.0 tptp 39.76 43.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -120.8 109.71 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.8 tp -154.66 128.65 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -66.14 137.1 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 p -113.98 125.95 54.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -119.79 81.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.82 141.51 3.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -172.08 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.28 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.4 p -141.26 152.9 44.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.5 t -113.51 175.99 5.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 52.2 m -82.06 165.96 20.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.375 . . . . 0.0 110.808 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 11.1 t -174.11 150.15 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 157.59 -128.42 2.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.438 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 60.4 p -121.06 -179.96 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 43.9 p -99.39 148.13 24.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.13 -166.94 14.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.1 tpt -111.18 124.44 52.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -116.62 -177.87 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 74' ' ' SER . 42.1 mttm -146.32 167.04 24.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.5 mt -109.99 129.5 55.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -94.1 130.74 40.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -112.36 122.05 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.6 168.03 12.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.556 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.02 40.5 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -96.7 111.01 23.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -39.91 143.61 0.58 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.819 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.89 3.09 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.64 -18.65 13.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.2 t -56.04 160.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.4 p -144.47 160.07 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.1 -34.18 55.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -43.17 98.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.02 -37.67 81.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.84 -47.49 80.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.73 -41.01 92.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.43 -37.2 77.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 62' ' ' VAL . 47.4 tp -62.98 -48.59 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.671 ' CZ ' ' CD1' ' A' ' 58' ' ' LEU . 8.1 m-85 -62.89 -46.72 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -38.58 94.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.87 -24.81 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -95.55 18.86 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 57.34 35.31 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 mt -131.57 80.52 66.58 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.97 66.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.515 HD21 ' CD2' ' A' ' 23' ' ' PHE . 5.2 mt -102.03 111.77 24.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.28 27.71 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.34 -153.9 6.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.475 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 2.9 tp60 -96.33 152.51 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 60.8 t -117.82 136.57 54.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.4 tt -129.05 129.6 45.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -118.87 114.9 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.442 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 11.7 mmmt -110.05 158.96 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -67.91 92.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.51 14.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.542 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 p90 -157.04 176.85 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.27 152.54 31.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -124.08 139.14 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -134.81 141.02 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -89.81 121.91 32.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -91.55 144.65 29.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.52 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.76 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.1 163.05 30.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -62.9 -38.2 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.472 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 13.8 t-20 -66.09 -45.65 80.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.52 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 40.8 t90 -58.64 -42.07 87.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.44 79.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.1 mt -62.23 -44.8 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -68.81 -38.19 79.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.38 -46.76 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.414 ' O ' ' N ' ' A' ' 59' ' ' SER . 48.1 mt -62.71 -47.66 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.72 -40.15 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 m -76.96 -24.23 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.671 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 mt -97.18 -73.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 55' ' ' ILE . 38.2 t -57.95 123.2 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.65 -16.88 55.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -128.27 20.72 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 55.3 t -147.91 127.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.06 136.4 52.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.6 tp -125.87 121.08 32.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 63.64 25.24 14.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.85 -13.38 64.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -104.38 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.9 mm -68.01 130.03 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.499 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 6.1 ptm -83.65 138.01 33.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -115.2 123.1 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.412 ' CG2' ' HB2' ' A' ' 59' ' ' SER . 13.2 t -115.07 133.68 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -149.28 148.74 29.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -47.08 139.89 5.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 6.1 t -89.27 87.6 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -145.16 164.45 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 62.1 m -125.41 42.7 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -103.25 152.29 21.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -169.02 154.62 6.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -136.96 149.4 47.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -109.57 154.81 22.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.1 t -89.56 135.45 33.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.8 p -123.9 -43.13 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -120.4 82.42 0.34 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 104.64 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.0 p -166.69 165.83 16.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 m -44.81 -50.44 10.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 33.8 m -94.53 94.13 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.2 t -125.99 150.17 48.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 65.15 -129.39 34.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 61.6 m -47.06 124.24 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.5 p -174.96 172.37 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 132.24 166.37 11.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -43.64 150.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.72 -175.2 2.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -138.93 166.54 24.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.17 135.27 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -93.95 128.75 40.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.21 121.39 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.19 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.57 166.12 12.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 t30 71.49 41.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.03 127.99 47.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -62.9 147.86 93.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.3 15.87 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.27 -21.66 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.12 142.81 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -124.03 164.71 18.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.88 -41.33 74.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.97 -40.52 85.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -66.49 -42.02 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.31 -47.62 85.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -61.98 -43.29 99.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.63 -34.72 76.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.46 HD23 ' CE ' ' A' ' 69' ' ' MET . 30.1 tp -61.28 -49.59 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -64.62 -45.02 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.88 -37.71 94.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.73 -24.14 67.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.7 mmt-85 -95.12 19.13 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 61.11 37.58 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 HD21 ' NE1' ' A' ' 50' ' ' TRP . 14.9 mt -133.45 81.06 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 125.49 12.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.3 mt -76.46 98.65 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.41 34.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.35 -140.84 3.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -112.17 151.83 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.0 t -122.01 137.75 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -129.01 124.12 34.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.96 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.402 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 14.3 mmmt -110.1 159.26 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -67.95 92.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.68 -14.87 26.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.402 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.0 p90 -155.48 178.04 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -159.23 143.93 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.24 141.37 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.4 140.95 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -92.03 121.98 34.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 33.0 p90 -92.04 143.07 27.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.713 0.768 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.551 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.1 Cg_endo -69.67 -50.23 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -137.1 161.91 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.79 -38.63 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.98 -44.17 93.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.551 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 31.7 t90 -64.93 -42.04 95.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.507 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.62 -44.38 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -69.34 -33.47 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.92 -46.6 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 59' ' ' SER . 23.1 mt -64.51 -47.74 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.01 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 17.5 m -79.93 -24.4 41.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.4 mt -99.69 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.0 t -56.19 116.08 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.64 -6.68 72.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 10.31 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.491 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 29.2 t -146.9 129.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -119.74 130.79 55.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.5 tp -119.72 124.12 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 62.34 31.68 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.77 86.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -117.46 130.66 56.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -69.03 128.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.491 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.1 ptm -86.46 136.61 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -114.6 122.56 46.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.3 t -119.95 128.1 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.48 146.1 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -38.69 153.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 p -95.58 60.47 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -119.11 128.33 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.4 m -99.53 -45.56 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -168.79 107.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -73.13 148.67 43.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.983 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.9 tp -115.98 98.7 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -152.0 149.15 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.6 p -142.68 151.05 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -114.88 149.52 37.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.72 81.34 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 107.23 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.727 2.285 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.8 p -117.33 122.56 44.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 m -144.12 134.84 25.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 36.7 m -107.23 -59.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.36 . . . . 0.0 110.801 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 50.9 m -71.75 144.47 49.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -115.73 115.79 3.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 18.8 m -55.55 -50.1 70.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.2 p -145.52 148.97 33.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 97.71 132.08 7.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.87 135.18 21.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.48 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 t-20 -99.14 174.98 6.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -147.21 166.27 27.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 mt -112.97 137.69 50.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -98.45 118.92 36.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.82 123.89 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.91 163.86 12.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 70.38 42.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 87.4 mt -104.99 104.83 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -41.85 151.19 0.33 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.749 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.14 6.03 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' HB2' ' CE1' ' A' ' 65' ' ' HIS . . . -101.1 -16.2 17.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.28 140.96 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.2 p -124.31 155.75 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.43 67.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.5 -40.12 90.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.17 -38.6 82.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -63.57 -47.61 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.42 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 4.2 ptp180 -64.5 -42.77 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.0 -35.26 78.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 62' ' ' VAL . 28.6 tp -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -65.03 -46.6 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -35.23 91.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.416 ' HB3' ' NH2' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -60.95 -35.44 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.325 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' NH2' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -90.05 19.83 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.07 40.54 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.75 78.64 48.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 110.64 2.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.297 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.7 mt -60.18 102.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.49 37.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.79 -159.44 9.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 29.3 tp60 -92.99 152.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 95.4 t -122.26 137.06 57.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.2 tt -129.02 133.59 47.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 tp -118.65 114.72 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.2 mmtp -110.22 158.4 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -67.78 92.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.79 14.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.476 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.2 p90 -156.53 173.67 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . . . -147.84 149.53 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -119.65 119.28 33.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.98 140.92 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -91.52 126.17 36.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.48 ' CE2' ' HB3' ' A' ' 3' ' ' ASN . 21.3 p90 -99.22 144.2 27.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.79 -50.04 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.68 2.254 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.44 155.6 46.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.18 -38.13 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -62.05 -42.35 99.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.8 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.453 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 45.6 t90 -65.03 -44.77 88.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.62 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.6 -44.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -68.76 -39.93 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.59 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' SER . 19.9 mt -64.71 -47.46 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.98 -39.08 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.0 m -79.76 -23.02 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 38.4 mt -102.27 -74.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.1 t -52.36 117.69 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.81 45.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -121.18 18.6 11.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 39.1 t -147.66 128.8 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -110.56 143.66 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 tp -136.39 119.11 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.1 m-70 63.76 25.05 14.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.11 78.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -109.52 133.17 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.02 129.71 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.484 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.2 ptm -83.56 137.2 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -116.19 126.08 53.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.1 t -117.67 129.97 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -40.71 152.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p -82.21 -14.01 56.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.06 -17.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.5 m -65.21 112.35 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -129.89 160.79 32.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -61.45 143.61 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.414 ' C ' HD13 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -42.12 114.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -125.79 143.34 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t -172.33 171.54 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -157.29 107.35 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.65 165.44 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.69 16.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.29 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.2 m -127.29 167.6 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -104.42 100.4 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.4 t -125.71 -61.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 22.8 t -57.25 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -79.78 -85.34 0.61 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.2 m -131.16 126.15 34.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 57.5 p -131.5 175.08 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -119.63 -72.31 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.3 ptm -165.16 130.13 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -101.76 167.07 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -146.25 165.47 29.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.94 137.12 48.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 128.92 40.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -113.15 120.67 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.37 169.1 12.89 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.74 34.78 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -95.88 133.65 39.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.6 t -65.66 142.34 98.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.67 0.748 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.29 5.91 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.35 -12.4 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.3 t -74.73 140.78 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.1 p -118.45 166.86 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.88 -31.12 48.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.049 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -66.73 -39.98 88.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.77 -41.48 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -62.76 -47.63 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.51 -39.96 94.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.16 -32.87 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.9 tp -67.03 -48.92 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.49 -35.93 82.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.37 -33.25 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.759 0.314 . . . . 0.0 110.794 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -86.9 14.06 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? 62.61 39.12 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 10.2 mt -128.05 79.88 73.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.5 mt -58.23 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.46 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.04 -147.11 4.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.469 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 7.2 tp60 -100.57 151.56 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.469 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 20.8 t -122.21 137.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -129.05 127.09 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 tp -119.06 114.54 22.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.7 mmmt -110.47 160.6 16.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.2 m -68.36 91.36 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.09 -16.64 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.5 p90 -156.56 176.47 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.04 148.96 15.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -119.31 146.11 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.7 140.88 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.39 122.31 33.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -92.45 143.95 28.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.738 0.78 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.464 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.85 -38.22 7.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -150.74 166.34 30.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -64.11 -39.68 94.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -62.72 -45.79 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.464 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.3 t90 -60.5 -43.33 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.32 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.1 mt -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -69.68 -42.0 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.4 mt -64.08 -47.95 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.03 -36.05 82.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -80.94 -23.23 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.61 -67.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ILE . 11.2 t -54.96 117.49 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.11 -10.08 50.33 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -120.98 8.76 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.434 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 22.6 t -147.58 128.73 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -117.49 129.99 56.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.1 tp -117.42 125.52 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 60.01 37.17 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.31 -4.3 42.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.538 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -109.97 131.39 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.687 0.28 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.9 mm -68.61 129.9 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.3 ptm -83.11 136.76 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -114.13 123.12 48.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.434 ' CG1' HG12 ' A' ' 55' ' ' ILE . 5.6 t -117.9 126.4 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -152.53 139.18 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -37.68 148.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 p -101.39 36.26 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -127.17 151.8 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.0 t -127.95 110.19 12.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -72.11 77.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -100.8 142.38 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.5 tp -86.63 111.16 20.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.6 mmt-85 -93.68 -51.04 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -99.93 128.09 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.8 p -126.13 96.11 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.94 83.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -40.88 4.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -112.06 170.11 8.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.7 p -120.71 -43.51 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.4 t -112.15 -45.29 3.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.6 t -77.08 165.26 24.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 163.79 -160.01 32.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.9 t -139.78 152.76 46.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.8 t -111.82 -30.71 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 92.39 146.23 18.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.8 mmt 61.8 36.23 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -52.19 107.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -141.86 166.7 23.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mt -110.85 143.0 42.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -95.22 126.95 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mt -111.14 120.96 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.79 168.54 12.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.9 35.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -97.89 119.02 35.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.43 149.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.611 0.72 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.43 14.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.52 -19.04 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 144.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 p -124.62 161.02 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.51 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -58.97 -42.22 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.93 -38.21 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -63.66 -47.5 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.08 -44.64 91.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -66.12 -33.01 74.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 21.9 tp -64.16 -49.49 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 10.5 m-85 -63.79 -43.02 97.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.79 -33.95 76.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -63.91 -24.64 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.453 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 2.5 mmp_? -96.64 19.37 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.41 37.23 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mt -134.85 80.62 48.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.643 0.735 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 132.88 24.25 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD23 ' CH2' ' A' ' 50' ' ' TRP . 12.1 mt -75.36 114.33 13.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.74 34.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.93 -150.7 5.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.28 154.8 18.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 47.2 t -122.05 136.77 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -128.58 124.51 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -110.91 114.83 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 19.3 mmmt -110.1 159.37 17.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -68.28 91.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.85 21.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.475 ' CE2' ' HG3' ' A' ' 37' ' ' LYS . 7.9 p90 -156.14 178.05 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.74 150.33 17.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -118.2 143.97 46.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 m -135.84 140.95 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.41 123.88 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -101.0 144.62 28.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.904 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -145.18 165.34 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.7 -33.79 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.83 -46.11 89.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.415 ' CH2' HD23 ' A' ' 30' ' ' LEU . 33.1 t90 -65.87 -44.94 83.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.12 -50.9 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.3 mt -59.24 -43.09 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -70.0 -38.03 75.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.35 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.042 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 30.2 mt -64.78 -47.67 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.0 -36.9 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.453 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 75.5 m -80.49 -29.77 37.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 45.9 mt -95.19 -67.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.6 t -56.75 113.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 1.46 89.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -133.87 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.457 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 25.2 t -147.49 130.72 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -120.4 130.79 54.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.0 tp -120.21 127.19 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 59.96 26.29 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.96 -9.6 71.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -104.35 131.06 52.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.18 129.9 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.3 ptm -84.25 135.59 34.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -112.82 127.35 56.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.45 ' CG1' HG12 ' A' ' 55' ' ' ILE . 2.4 t -120.65 131.13 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -152.21 145.32 24.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.6 139.8 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -101.95 44.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.2 m -100.66 149.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 m -141.11 127.12 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -111.55 47.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -50.39 123.7 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.4 mt -148.69 160.42 43.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -108.77 -52.12 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 t -120.49 152.84 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 m -151.03 146.73 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.87 139.88 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -10.52 28.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -116.27 138.81 51.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.9 t -111.01 104.04 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 92.8 p -170.04 109.66 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.7 t -156.8 106.68 2.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 52.4 49.69 50.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.0 p -159.78 144.21 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.3 m -119.18 92.22 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -97.83 -162.17 31.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.9 ttp -81.57 103.55 11.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 44.9 m-80 -116.89 109.2 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -147.35 166.92 25.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.14 137.76 53.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -93.98 129.67 40.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -109.5 127.78 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.38 166.89 12.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.451 ' ND2' ' HB3' ' A' ' 67' ' ' LYS . 3.7 t30 66.64 50.88 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.3 110.38 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -46.27 150.95 1.02 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.11 20.22 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.17 -15.97 22.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 64' ' ' LEU . 88.2 t -56.72 145.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -127.07 155.27 43.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.79 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.06 -40.1 87.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -63.43 -47.4 82.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 15.7 ptm180 -67.12 -43.45 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.2 mm100 -66.92 -39.72 87.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' A' ' 62' ' ' VAL . 15.8 tp -60.26 -48.17 82.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 8.9 m-85 -62.26 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.42 -35.73 92.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.83 -37.2 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.03 19.25 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp 60.78 28.85 18.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -113.21 77.82 3.02 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.692 0.758 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.48 2.56 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.742 2.295 . . . . 0.0 112.381 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.531 HD21 ' CH2' ' A' ' 50' ' ' TRP . 11.0 mt -66.69 107.71 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.83 -152.25 5.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.509 ' NE2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.03 157.04 17.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 40.2 t -122.1 135.73 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' CD1' ' NE2' ' A' ' 33' ' ' GLN . 4.0 mp -124.42 128.06 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -112.72 114.4 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.483 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 13.6 mmtp -110.58 159.09 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 t -67.24 96.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.14 -19.04 23.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CD1' ' HB2' ' A' ' 37' ' ' LYS . 18.2 p90 -157.01 175.01 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.09 144.53 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -109.51 146.08 35.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.62 140.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.87 121.94 33.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 3' ' ' ASN . 15.2 p90 -102.23 145.35 30.35 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -142.91 163.52 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -58.35 -36.4 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -61.94 -44.38 96.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.531 ' CH2' HD21 ' A' ' 30' ' ' LEU . 41.3 t90 -62.19 -43.58 98.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -50.72 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.3 mt -61.35 -45.04 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -68.26 -34.24 75.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.02 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.8 mt -64.24 -48.05 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.08 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.8 -25.91 37.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.567 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 68.9 mt -104.27 -72.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.5 t -51.7 124.1 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.98 4.98 88.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -129.3 -30.27 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.425 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 13.5 p -118.42 143.74 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HB2' ' C ' ' A' ' 67' ' ' LYS . 23.6 pm0 -132.15 145.02 51.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' CD2' HG22 ' A' ' 14' ' ' VAL . 6.8 tp -115.46 128.45 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.3 m-70 63.86 26.67 14.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.3 81.82 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HB3' ' ND2' ' A' ' 9' ' ' ASN . 41.2 mttm -105.13 130.42 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 8.0 mm -68.01 130.05 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.425 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.1 ptm -90.86 136.02 33.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.86 126.61 55.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.443 ' CG1' HG12 ' A' ' 55' ' ' ILE . 61.6 t -111.76 126.39 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.9 t70 -153.66 144.1 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.6 m-85 -34.49 144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 t -69.87 -46.38 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.28 141.1 3.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.192 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.1 t -99.98 -56.92 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -51.29 176.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -104.31 -51.03 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.06 143.89 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -66.05 89.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.7 p -88.92 126.83 35.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 t -71.88 -48.67 44.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 167.48 156.19 9.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.3 2.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 t 61.6 42.27 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.8 p -44.91 127.63 6.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 40.4 t -40.9 129.02 2.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 110.826 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 55.0 m -125.66 -44.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 160.05 -97.39 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 43.6 t -47.57 147.32 1.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.341 . . . . 0.0 110.894 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.5 t -59.18 -51.27 70.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 88.75 135.04 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.4 ttm -45.04 117.58 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -117.16 108.83 16.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HZ1' ' N ' ' A' ' 44' ' ' ASP . 17.7 mtpp -145.45 163.2 35.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.1 mt -110.73 141.31 44.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 2.8 t80 -98.32 129.14 45.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.418 HG22 ' CD1' ' A' ' 10' ' ' LEU . 51.1 mt -110.88 123.02 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.53 161.26 12.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 73.08 46.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.418 ' CD1' HG22 ' A' ' 7' ' ' ILE . 95.8 mt -106.84 113.61 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -44.83 147.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.741 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -1.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.55 -18.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.6 t -57.39 140.63 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 p -119.48 158.36 26.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.8 -33.53 64.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -40.39 92.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.793 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -41.56 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.34 -47.52 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -65.49 -41.81 92.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -34.69 77.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD23 ' CE ' ' A' ' 69' ' ' MET . 31.4 tp -64.18 -48.93 74.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.615 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.4 m-85 -60.96 -44.84 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.18 91.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -32.99 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 19.9 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? 63.2 25.83 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.94 78.71 7.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.715 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 113.53 3.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.9 mt -65.12 119.82 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.62 19.41 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.21 -144.38 4.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.55 163.26 14.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 35' ' ' LEU . 61.9 t -122.16 144.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.403 ' N ' HG11 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -129.06 135.88 49.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -113.59 114.36 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.508 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 19.9 mmmt -110.46 158.35 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -69.16 86.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.6 -11.02 18.89 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 2.7 p90 -157.07 177.99 10.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.908 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.51 144.85 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -109.5 146.07 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.21 140.83 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' N ' ' HZ1' ' A' ' 4' ' ' LYS . 3.3 t70 -92.24 124.32 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 3' ' ' ASN . 31.0 p90 -102.66 146.71 32.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -142.89 163.85 31.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -62.03 -45.66 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 t90 -61.21 -42.07 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.69 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -60.52 -42.52 91.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.77 -39.96 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.23 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' SER . 31.1 mt -61.84 -47.7 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.69 -38.31 89.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -79.26 -23.53 43.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 72.9 mt -101.16 -72.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.0 t -55.02 117.42 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.36 -10.79 62.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 5.85 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.421 ' CG1' HD11 ' A' ' 22' ' ' LEU . 54.9 t -148.02 133.67 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -132.18 148.0 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 tp -127.89 137.16 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 59.83 31.62 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.52 10.77 84.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -122.27 132.3 54.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.3 mm -67.94 127.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.459 ' CE ' HD23 ' A' ' 22' ' ' LEU . 7.4 ptm -87.35 131.94 34.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -108.97 123.01 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.76 128.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -150.82 154.02 36.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.28 163.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.6 t -111.89 94.72 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 76' ' ' SER . 27.2 m -117.1 33.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' VAL . 10.4 t -34.55 -53.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.09 91.28 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -90.51 60.4 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 tt -96.14 92.55 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -130.1 76.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 82' ' ' SER . 36.5 t -124.32 151.95 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 81' ' ' SER . 22.7 t -35.48 -43.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 164.17 167.41 24.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 -43.19 2.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m 57.7 42.15 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.9 t -119.21 -44.39 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.534 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 74.7 m -122.24 103.39 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.3 m -54.51 108.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 102.29 131.47 7.36 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 71.0 m -94.97 106.67 18.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.6 t -111.11 111.18 22.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 136.59 126.65 2.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.8 mmt 58.92 38.81 24.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.878 0.371 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 4.4 p30 -54.54 107.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -146.44 166.96 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 mt -113.3 142.99 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.49 127.04 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.2 mt -111.18 122.1 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.194 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.87 168.22 12.51 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 70.83 41.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 mt -96.96 128.18 43.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -66.08 150.32 96.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.2 -14.66 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.2 t -67.86 137.73 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 p -122.12 163.24 19.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.6 -39.82 65.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.7 -40.38 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.74 -41.53 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.08 -47.49 85.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 12.2 ptm180 -66.0 -42.35 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.4 mm-40 -63.8 -33.29 75.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.433 HD21 ' CE ' ' A' ' 69' ' ' MET . 55.1 tp -68.22 -49.53 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 11.7 m-85 -64.1 -45.08 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.05 -34.41 88.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.416 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.23 -31.3 72.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.78 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.73 19.89 3.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER 62.42 26.66 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.59 80.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.9 31.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.7 mt -85.92 105.65 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 35.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.28 -146.04 4.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -106.22 154.3 20.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 51.1 t -122.02 135.74 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.062 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.72 127.46 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.83 114.89 27.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.2 mmtt -110.12 158.29 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -67.03 94.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.58 -18.84 22.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -155.93 177.92 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.98 153.18 27.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -120.13 138.26 53.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.57 140.99 46.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -94.55 122.37 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CZ ' ' HB2' ' A' ' 3' ' ' ASN . 13.1 p90 -95.52 146.84 32.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.726 0.774 . . . . 0.0 110.87 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -47.92 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.742 2.295 . . . . 0.0 112.291 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -140.05 169.08 18.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -67.12 -38.42 85.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -62.5 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -65.4 -42.24 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -63.08 -50.11 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 58.8 mt -58.74 -44.98 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -70.0 -38.67 76.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.87 77.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 64.8 mt -64.37 -47.81 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.78 -37.19 85.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 m -80.99 -27.89 35.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.486 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 72.3 mt -90.78 -71.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -57.06 122.75 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.4 -7.65 63.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -129.98 4.52 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 54.7 t -145.03 135.06 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -131.39 140.04 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.4 tp -119.72 132.7 55.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 61.45 44.12 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.98 11.25 43.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -122.61 135.71 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.708 0.289 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.1 mm -71.59 128.34 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.433 ' CE ' HD21 ' A' ' 22' ' ' LEU . 5.6 ptm -89.88 136.36 33.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -113.15 127.86 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 4.7 t -121.51 134.48 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -150.93 144.99 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -45.11 147.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 m -96.18 56.22 1.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.2 m -124.79 -14.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 m -63.66 -43.19 97.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt 62.51 37.58 13.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -54.71 -48.78 72.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tp -57.42 108.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.43 125.98 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -90.67 136.33 33.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.9 t -117.61 176.84 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -136.89 146.18 18.09 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.421 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 117.86 5.34 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -116.75 102.46 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -153.49 133.25 13.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 28.5 t -87.52 114.66 24.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 30.0 p -167.53 150.75 6.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -172.74 -154.56 10.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 82.5 p -110.36 162.42 14.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.0 m -140.64 140.79 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 133.06 -146.12 18.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.7 mtm -112.05 146.05 38.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -145.04 175.44 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -145.81 166.67 25.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.98 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -110.16 133.9 52.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.7 OUTLIER -94.07 130.42 40.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -111.24 122.17 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.26 162.86 12.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 72.3 40.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.842 0.354 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 23.6 mt -93.89 121.12 35.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.81 149.78 8.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.15 -16.95 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.5 t -57.46 130.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.2 p -117.44 158.32 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.7 64.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.07 -42.58 98.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.63 -39.33 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.14 -47.5 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -62.69 -44.3 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -66.33 -39.06 88.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' CE ' ' A' ' 69' ' ' MET . 21.1 tp -61.81 -47.2 86.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.58 -44.31 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.32 -35.22 91.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.87 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -90.2 18.07 6.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 42.18 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.3 mt -132.69 80.85 60.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 129.0 16.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.7 mt -77.45 101.42 6.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.96 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.0 38.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.4 -143.48 3.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -108.5 154.21 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.7 t -122.04 135.45 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.95 128.14 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -112.76 114.83 27.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 21.7 mmtm -110.2 158.81 17.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -67.31 94.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.26 -18.29 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.8 p90 -156.61 176.57 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.3 148.3 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -114.24 145.27 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.0 m -140.93 141.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -93.27 124.98 37.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -96.17 144.12 27.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.515 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.69 -47.02 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -139.7 165.66 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.54 -39.99 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -62.59 -45.41 93.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.515 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.9 t90 -61.84 -41.98 98.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.26 93.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.3 -45.06 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -69.94 -38.5 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.81 -45.83 80.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' SER . 38.6 mt -62.84 -47.62 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.73 -37.93 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.9 m -80.05 -26.38 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.71 -69.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.4 t -57.48 112.96 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.62 -0.71 85.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -132.41 5.94 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 75.5 t -147.02 133.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.8 148.84 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 tp -130.05 133.52 46.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 61.04 25.25 15.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.22 2.47 89.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -110.86 136.36 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.45 125.59 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.49 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 7.2 ptm -88.3 134.23 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -113.64 136.65 52.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.4 131.28 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -155.2 153.6 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -46.76 126.94 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.6 p -65.26 81.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -136.56 167.5 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.8 m -122.68 86.63 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -69.01 -51.56 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -54.46 160.58 1.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 mp 49.78 53.68 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -55.92 140.77 41.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.5 t -72.57 95.22 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 m -142.34 137.37 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 171.17 77.39 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -177.89 2.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.7 p -93.9 116.56 29.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.7 m -148.07 114.3 5.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.544 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 60.2 p 38.36 41.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 6.6 t -104.71 146.29 29.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' -1' ' ' SER . . . -77.95 72.64 2.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 0' ' ' SER . 1.9 m -37.8 125.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' -1' ' ' SER . 25.7 m -36.16 142.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.06 166.96 21.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.11 170.98 5.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.717 0.294 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -112.59 113.84 26.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -136.63 167.04 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -113.22 145.1 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.498 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 1.1 t80 -94.88 129.58 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.41 120.21 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.84 167.82 12.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.22 35.58 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.931 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -96.17 121.12 37.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -50.43 143.66 13.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.883 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.11 -14.49 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.6 t -56.6 151.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.6 p -129.08 155.0 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.98 -36.52 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.85 -41.05 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.69 -41.01 88.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.04 -47.55 84.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -63.93 -44.79 91.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -40.17 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.94 -48.85 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 12.0 m-85 -64.48 -38.27 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.48 -40.81 67.69 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.88 -23.55 66.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 mmt-85 -92.47 18.78 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm 60.55 36.09 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 23.5 mt -131.99 81.14 63.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.8 18.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.746 2.297 . . . . 0.0 112.303 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.553 HD22 ' CD2' ' A' ' 23' ' ' PHE . 8.2 mt -85.13 104.36 14.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.58 36.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -153.69 6.21 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.473 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 4.1 tp-100 -96.76 152.09 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.473 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 88.3 t -122.24 134.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.82 131.41 47.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -116.74 114.72 24.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 23.3 mmtp -110.26 158.93 17.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 m -67.42 94.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.788 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 -17.41 25.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 20.1 p90 -156.38 178.03 10.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.904 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.22 155.94 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -121.61 135.61 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.1 m -130.26 140.95 47.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -93.52 122.01 35.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -95.65 144.33 27.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.738 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -46.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.71 162.19 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.7 -38.41 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -62.19 -41.5 98.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.76 -41.95 91.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.1 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -70.06 -29.33 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.02 -45.88 55.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 59' ' ' SER . 24.1 mt -62.73 -47.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.4 m -75.9 -27.1 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 91.2 mt -103.84 -75.05 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' ILE . 39.0 t -55.71 124.6 17.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.25 -3.75 70.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -124.3 -16.22 6.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 4.4 p -136.08 143.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 0.2 OUTLIER -128.98 146.79 50.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -121.5 133.76 55.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 63.92 25.03 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.33 -2.3 87.48 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.436 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' C ' ' HB2' ' A' ' 63' ' ' GLU . 25.6 mtpp -112.94 134.76 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 63' ' ' GLU . 15.6 mm -68.79 130.02 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 4.1 ptm -84.51 138.29 32.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -117.17 123.69 47.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.56 130.22 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.5 t70 -155.6 140.07 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 91.0 m-85 -36.2 132.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p -85.04 48.11 1.51 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.0 m -109.7 127.21 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -164.4 154.02 13.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -102.52 135.46 44.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -111.66 -51.45 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.9 tp -124.62 148.39 47.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -80.23 122.44 26.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -45.84 120.86 2.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -134.47 125.14 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.6 83.64 0.22 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 158.66 56.18 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.9 p -117.82 -49.88 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.0 p -66.1 -58.53 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 58.0 m -64.89 164.27 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 90.9 p -118.04 139.19 51.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 164.6 102.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.0 m -106.03 42.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.828 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 97.4 p 41.28 40.3 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -138.82 -123.12 2.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -166.15 132.89 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -105.62 -178.2 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -134.84 163.96 28.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.15 138.98 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -94.47 122.99 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -102.98 122.03 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.41 168.86 12.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.22 46.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' CD1' ' HB1' ' A' ' 41' ' ' ALA . 78.5 mt -108.25 109.74 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -47.77 154.92 0.87 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -2.95 11.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.455 ' CB ' ' CE1' ' A' ' 65' ' ' HIS . . . -100.66 -13.62 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' CG2' HD23 ' A' ' 64' ' ' LEU . 57.7 t -58.47 144.3 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 p -128.64 155.52 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' N ' HD21 ' A' ' 36' ' ' LEU . . . -55.33 -40.19 70.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.71 -40.67 88.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.799 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -62.95 -47.44 83.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -62.5 -45.05 94.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.96 -31.67 71.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.465 HD11 ' CG2' ' A' ' 62' ' ' VAL . 16.3 tp -64.26 -48.86 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.464 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.4 m-85 -64.96 -40.73 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.36 -35.76 91.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 19.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 59.75 39.25 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -121.47 80.15 38.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 110.05 2.47 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.328 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 23' ' ' PHE . 13.4 mt -66.47 100.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.63 37.29 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -154.78 6.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 25.5 tp60 -97.83 152.3 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 46.2 t -122.14 136.42 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -128.95 130.69 47.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.459 HD21 ' N ' ' A' ' 16' ' ' ALA . 53.6 tp -110.54 114.88 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 31.5 mmtm -110.22 158.03 18.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 t -68.0 90.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.69 -15.03 22.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.1 p90 -156.35 178.13 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB1' ' CD1' ' A' ' 10' ' ' LEU . . . -155.11 151.16 27.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.1 128.5 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.24 140.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.85 123.16 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -98.87 145.27 29.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.984 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.46 3.4 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.1 160.0 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.84 -36.69 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -62.09 -45.96 91.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -60.85 -42.44 97.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.77 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -60.84 -45.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 -69.44 -35.04 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.75 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' SER . 22.6 mt -62.99 -47.91 90.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.94 -39.17 93.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.4 m -80.24 -22.02 42.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.464 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 66.6 mt -102.43 -70.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.5 t -51.0 122.01 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.91 -14.03 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -107.11 -10.63 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 9.2 p -129.92 128.4 64.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -111.53 129.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.448 HD23 ' CG2' ' A' ' 14' ' ' VAL . 12.9 tp -118.85 119.69 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.455 ' CE1' ' CB ' ' A' ' 13' ' ' ALA . 6.6 m-70 64.0 36.29 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.44 -1.83 59.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -116.55 128.88 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 63' ' ' GLU . 15.7 mm -67.82 130.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.476 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 10.3 ptm -87.98 138.25 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -113.43 123.44 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.43 126.05 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -154.44 141.46 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.6 m-85 -35.42 148.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -100.31 42.37 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.74 163.72 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.8 p -143.53 175.66 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -166.89 128.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -141.0 140.64 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 mt -149.49 166.42 29.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.9 ptt-85 -149.74 139.3 21.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.2 p -173.54 137.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 t -133.71 131.75 39.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.12 156.87 28.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -49.94 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.283 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.2 t -88.79 132.91 34.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.822 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -98.8 -45.57 5.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.528 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 74.0 m -50.05 125.92 13.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.392 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.1 t -72.45 144.82 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -64.95 -163.95 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 86.8 p -157.5 115.63 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 93.3 p -79.02 160.12 27.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 158.48 -146.96 14.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.3 mtt -77.0 102.26 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.796 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -152.47 171.49 18.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -142.73 166.08 25.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.0 137.89 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 124.86 38.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.2 mt -109.73 120.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.01 168.53 12.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.72 43.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 81.8 mt -104.08 118.44 36.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -48.45 143.65 7.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.554 ' HB1' ' CE1' ' A' ' 65' ' ' HIS . . . -106.44 -15.75 14.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG21 ' CD2' ' A' ' 65' ' ' HIS . 54.3 t -67.65 146.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -126.47 174.14 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.07 75.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.6 -41.8 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -68.43 -42.89 78.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 11.8 ptm180 -66.15 -41.04 90.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.6 tt0 -68.09 -35.44 78.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 tp -63.89 -49.87 70.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.553 ' CZ ' HD12 ' A' ' 58' ' ' LEU . 10.8 m-85 -63.96 -40.27 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.74 93.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -59.24 -33.42 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.02 19.02 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt 59.47 42.44 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 16.9 mt -124.59 76.51 63.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 109.33 2.27 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.724 2.282 . . . . 0.0 112.391 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.7 mt -57.4 100.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.21 41.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.54 -130.84 1.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -119.0 151.43 38.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 46.5 t -122.06 135.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.03 132.38 47.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -117.82 114.96 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 24.5 mmtp -110.1 158.95 17.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -68.31 90.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 -14.88 17.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.456 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.0 p90 -155.83 177.34 11.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . . . -157.82 151.47 23.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.34 137.82 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.48 140.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -91.72 121.98 33.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -92.09 143.66 27.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.72 0.771 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.53 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.75 -49.95 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.414 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -139.64 167.5 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -62.83 -38.71 91.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -64.26 -42.79 96.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.53 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 36.8 t90 -62.88 -42.78 99.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.69 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.53 -44.05 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -69.67 -38.08 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -47.01 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' SER . 28.8 mt -62.4 -48.12 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.56 -40.46 94.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 m -79.23 -22.56 44.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.553 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 87.4 mt -99.86 -70.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.0 t -56.49 115.74 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.67 -4.47 78.77 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -126.53 8.8 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 58' ' ' LEU . 87.4 t -147.36 130.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.06 146.84 34.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.0 tp -137.2 119.94 16.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.554 ' CE1' ' HB1' ' A' ' 13' ' ' ALA . 33.5 m-70 62.54 25.91 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.64 -13.07 65.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -104.61 131.71 51.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.01 129.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ptm -83.01 132.73 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -113.74 125.73 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 55' ' ' ILE . 21.3 t -118.6 127.46 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' TYR . 1.1 m-20 -150.3 136.82 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' ASP . 34.2 m-85 -34.54 136.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.2 t -94.96 41.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.04 39.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.9 t -44.26 -58.57 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.88 113.62 25.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -123.43 87.68 2.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' HG ' ' N ' ' A' ' 80' ' ' ARG . 6.7 tp -167.53 147.39 5.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.402 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 7.1 tmm_? -149.22 126.69 11.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.0 p -165.33 122.14 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.0 t -56.31 146.55 23.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.44 144.98 0.19 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.76 31.52 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t 50.71 35.54 12.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -130.36 127.8 40.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.482 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 62.9 m -91.56 130.52 37.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.9 m -84.89 87.62 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 132.22 71.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 79.9 p -130.83 106.16 8.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.823 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 93.9 p -170.88 167.33 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 128.46 -88.69 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.06 45.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -98.97 -179.14 4.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -146.78 166.34 26.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mt -110.01 131.74 54.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.04 127.46 39.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.8 mt -109.17 122.0 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.52 162.97 12.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 45.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.59 116.29 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -46.47 143.27 4.02 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.721 0.772 . . . . 0.0 110.864 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 0.29 5.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.87 -18.09 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 15' ' ' THR . 71.3 t -60.32 158.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.438 ' N ' HG13 ' A' ' 14' ' ' VAL . 75.8 p -140.68 161.41 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.33 -31.4 33.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.33 -42.19 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.08 -38.91 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.78 -47.55 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -63.94 -44.08 93.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -68.29 -31.17 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.46 -49.97 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.41 -42.33 87.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.01 -36.54 93.61 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.43 -34.03 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -85.41 19.29 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 59.62 38.12 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.19 80.66 68.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.551 0.691 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.52 13.42 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.87 110.77 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.32 29.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.19 -142.18 3.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -109.34 157.59 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -122.04 135.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.67 128.88 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.423 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 17.1 tp -119.14 114.4 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 36' ' ' LEU . 2.8 mptt -106.92 162.36 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 p -69.21 89.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.18 -14.11 13.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.7 p90 -156.87 178.04 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.915 0.388 . . . . 0.0 110.982 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.25 146.81 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -116.72 146.07 43.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.12 140.89 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -89.65 128.02 36.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.416 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 29.3 p90 -99.19 144.08 27.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.97 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.562 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.6 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.17 174.58 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.09 -40.55 74.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.2 -45.45 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.562 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 28.8 t90 -63.07 -42.06 99.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.416 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -62.73 -50.94 69.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.5 -44.96 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -68.56 -37.39 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.08 77.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.495 ' O ' ' N ' ' A' ' 59' ' ' SER . 37.4 mt -63.09 -48.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.33 -36.5 78.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.5 m -80.04 -27.0 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.458 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 44.0 mt -97.49 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.3 t -53.65 108.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.13 -18.32 57.05 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -118.7 17.52 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 58' ' ' LEU . 30.9 t -146.4 134.35 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -126.41 130.99 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 tp -118.54 120.68 38.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 63.68 28.16 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.33 1.28 89.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -113.84 127.87 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.309 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -67.99 129.2 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 9.8 ptm -88.46 137.87 31.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -115.09 125.88 54.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.408 ' CG1' HG12 ' A' ' 55' ' ' ILE . 3.7 t -121.35 127.51 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -150.5 144.38 25.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -39.15 123.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.9 p -73.39 84.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -121.24 147.69 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 t -116.67 -50.62 2.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -171.83 132.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -97.92 85.07 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.63 158.23 43.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -163.19 113.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -121.66 153.6 37.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -116.18 130.87 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.32 -173.04 21.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 178.9 4.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.236 . . . . 0.0 112.396 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.8 p -121.53 146.89 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t -92.78 -47.16 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.483 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 90.5 p -96.76 127.66 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.2 m -92.16 150.96 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 52.36 57.34 13.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 94.7 p -46.17 141.92 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.3 m -92.24 165.77 12.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 146.75 -152.54 24.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -140.59 143.79 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -135.45 -178.47 5.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -142.85 165.53 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.3 mt -110.06 135.64 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.13 128.75 40.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.0 mt -107.58 123.74 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.9 170.96 13.54 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 68' ' ' ILE . 2.6 t30 65.93 41.51 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -104.8 138.18 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.4 p -80.04 153.75 74.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.716 0.77 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -15.44 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.86 -18.81 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.2 t -65.4 146.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.3 p -126.69 159.44 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.28 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -63.26 -41.13 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.17 -42.65 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.95 -47.58 85.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.61 -39.12 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.69 -31.24 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.3 tp -70.13 -45.51 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -66.25 -37.82 86.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.36 -39.13 87.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.94 -23.87 66.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 1.3 mmp_? -91.26 19.57 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 58.85 26.7 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -126.3 76.12 72.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 152.2 69.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.391 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 HD11 ' CG2' ' A' ' 34' ' ' VAL . 4.1 mt -103.92 131.65 50.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.3 26.2 9.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA3' ' CG ' ' A' ' 44' ' ' ASP . . . -139.11 -139.59 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.507 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -112.17 155.48 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.456 ' CG2' HD11 ' A' ' 30' ' ' LEU . 58.7 t -122.12 136.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.09 136.09 49.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -117.49 114.73 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.491 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.4 mmmp? -110.3 157.6 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 p -67.0 93.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.72 -18.94 16.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.4 p90 -156.1 176.69 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.388 . . . . 0.0 110.94 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.92 151.39 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -117.0 128.9 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.63 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 44' ' ' ASP . 1.1 t0 -86.87 125.27 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.6 p90 -102.25 143.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.31 164.3 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -60.43 -38.33 83.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -62.0 -44.92 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.25 -42.05 97.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.99 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -65.0 -44.94 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -69.38 -30.24 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.87 -43.43 62.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.0 mt -64.9 -48.13 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 96.0 m -76.81 -29.1 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.432 ' CD2' ' HG3' ' A' ' 26' ' ' ARG . 68.7 mt -100.18 -73.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.9 p -51.04 128.92 22.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.44 -10.63 35.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 57' ' ' THR . 4.8 ttmm -121.73 -14.31 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.486 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 38.7 t -117.69 131.47 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -122.74 133.09 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 tp -119.62 125.33 48.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 60.3 38.63 19.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.92 -4.41 30.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -108.63 129.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.405 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 11.6 mm -68.03 128.95 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.486 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.4 ptm -83.72 136.65 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.58 126.38 54.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.79 126.38 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.13 157.21 40.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -44.15 153.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p -94.42 53.48 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.5 m -120.15 127.31 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.8 m -133.27 107.89 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -171.5 119.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -79.68 103.21 9.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.39 87.57 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.14 152.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -112.75 42.3 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.782 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 m -155.49 144.63 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 162.97 -173.25 39.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 172.92 11.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.259 . . . . 0.0 112.236 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 t -124.77 97.59 5.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -86.21 -44.27 12.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.3 m -122.21 87.32 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 32.9 t -84.52 99.65 10.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -154.45 -80.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.8 t 53.9 38.85 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 9.9 m -108.2 -45.23 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 90.64 -98.8 2.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 ttt -74.5 158.09 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.72 0.295 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 10.7 m-80 -95.99 120.41 36.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -147.8 166.73 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mt -117.35 142.26 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.491 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 1.8 t80 -94.03 130.68 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 10.4 mt -117.78 121.19 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.56 161.66 12.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 74.82 50.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 41' ' ' ALA . 95.8 mt -109.96 109.6 20.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 150.46 0.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.805 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.81 10.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.28 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.83 -19.43 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 15' ' ' THR . 83.7 t -58.7 136.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.053 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.432 ' N ' HG12 ' A' ' 14' ' ' VAL . 74.7 p -125.93 161.83 26.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.24 -31.78 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.39 -42.25 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -68.5 -40.86 80.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -61.64 -47.52 85.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -67.16 -38.24 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -70.09 -36.22 74.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.5 tp -68.44 -43.31 77.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.476 ' CD2' ' CD2' ' A' ' 30' ' ' LEU . 5.0 m-85 -66.33 -42.61 87.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.8 -31.65 73.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.45 -34.2 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.43 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 7.5 mmp_? -87.48 16.82 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 61.32 40.85 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.99 80.93 70.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.71 10.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' CD2' ' CD2' ' A' ' 23' ' ' PHE . 7.9 mt -74.1 104.55 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.06 39.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.04 -138.12 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.41 152.78 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -122.06 129.75 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.08 133.35 55.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 tp -118.94 114.92 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 1.4 mptp? -109.83 159.14 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -68.78 89.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 -13.74 16.16 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -157.03 176.28 12.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB3' ' CD1' ' A' ' 10' ' ' LEU . . . -158.04 150.76 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.448 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.8 m-85 -120.82 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.9 140.89 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -95.11 124.98 39.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 3' ' ' ASN . 5.8 p90 -104.46 146.92 33.53 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.684 0.755 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.2 165.31 25.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -65.06 -34.03 77.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.72 -45.52 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -65.08 -42.18 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.17 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.35 -43.31 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -69.98 -30.62 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.44 -46.36 64.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.6 mt -64.11 -47.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.43 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 18.7 m -77.16 -23.85 51.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.074 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.448 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 61.9 mt -100.37 -71.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.4 t -55.13 114.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.97 -14.94 57.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -121.78 12.77 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.478 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 39.6 t -146.89 131.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -122.68 133.67 54.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.3 tp -124.53 127.23 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 60.11 37.04 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.2 -6.55 28.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -109.57 129.25 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.319 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.2 mm -68.16 129.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.9 ptm -83.67 134.21 34.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -111.54 125.65 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.1 t -122.95 134.39 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.111 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.03 152.36 32.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -48.72 123.32 6.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.9 p -53.09 -25.24 12.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.9 m -57.2 119.87 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.8 m -143.55 173.84 11.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HD3' ' N ' ' A' ' 77' ' ' LYS . 2.7 mppt? -133.32 105.38 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.55 -20.57 62.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.6 mt -148.23 129.24 14.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' SER . 20.7 ptt180 -127.93 175.08 8.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ARG . 9.2 t -36.54 100.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t -116.53 117.95 31.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.2 83.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -34.94 13.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 t 50.49 47.91 23.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.2 t -71.73 -58.77 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.503 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 79.1 p -69.57 -52.7 23.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.792 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 1.3 t 50.12 42.72 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -123.75 41.91 1.67 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.567 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.8 t -52.6 -51.16 61.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.795 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.4 p -72.4 -43.66 63.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 123.21 -140.73 13.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.0 mmt -129.9 127.9 41.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -73.45 172.89 10.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -141.01 166.04 25.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -111.88 130.24 55.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.01 118.11 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.4 125.13 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.99 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.503 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.13 50.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.39 114.36 27.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 p -45.67 151.58 0.79 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.744 0.783 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.29 13.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.86 -14.53 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.418 ' CG2' HD22 ' A' ' 64' ' ' LEU . 75.5 t -52.76 144.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p -130.72 155.25 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.15 64.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -41.39 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -64.27 -42.56 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.82 -47.39 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.33 -40.47 77.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -68.92 -32.2 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' CD2' ' CE ' ' A' ' 69' ' ' MET . 21.1 tp -71.68 -49.7 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.483 ' CD2' HD22 ' A' ' 30' ' ' LEU . 9.6 m-85 -64.0 -42.86 97.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -39.16 96.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.88 -29.81 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -88.74 16.65 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 62.76 31.04 16.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.1 80.9 67.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 111.012 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.62 145.42 57.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.483 HD22 ' CD2' ' A' ' 23' ' ' PHE . 4.0 mt -95.59 101.47 13.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.46 42.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.19 -129.93 1.45 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -120.43 148.21 44.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.454 ' CG2' HD11 ' A' ' 30' ' ' LEU . 45.1 t -122.3 118.87 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.33 129.34 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 tp -112.46 115.13 28.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.521 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.3 mmmp? -109.8 158.91 17.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m -68.34 90.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.22 -14.5 18.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.5 p90 -155.73 176.17 12.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.67 148.24 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -116.34 146.14 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.51 140.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -91.32 122.26 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -94.62 144.37 27.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.95 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.14 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -139.74 165.14 28.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.11 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -62.18 -42.58 99.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -63.76 -42.32 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.8 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.4 mt -58.98 -44.39 90.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -70.06 -30.18 67.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -43.07 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.6 mt -65.02 -47.93 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.94 -41.36 99.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.5 m -76.61 -31.55 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 29.6 mt -97.63 -71.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.8 p -53.48 124.49 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.84 73.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.53 4.52 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.413 ' CG1' HD21 ' A' ' 22' ' ' LEU . 94.6 t -140.6 130.46 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HG3' ' C ' ' A' ' 67' ' ' LYS . 45.3 tt0 -122.37 130.01 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.418 HD22 ' CG2' ' A' ' 14' ' ' VAL . 11.1 tp -116.5 121.97 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 59.72 43.08 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.14 -1.57 17.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.42 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 18.4 mmtm -109.34 126.98 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.703 0.287 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mm -69.62 128.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.479 ' CE ' ' CD2' ' A' ' 22' ' ' LEU . 6.5 ptm -86.29 132.34 34.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -115.64 121.94 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.99 128.3 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -154.07 151.91 29.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -55.46 141.5 36.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 75' ' ' VAL . 86.6 p -83.05 -45.33 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 74' ' ' SER . 33.2 m 33.82 46.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.0 p -84.4 47.17 1.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -114.76 41.34 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -80.2 -50.25 10.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -88.41 154.27 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -159.8 178.18 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.9 t -75.45 147.25 40.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -163.74 153.4 14.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.29 81.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 127.34 14.42 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.301 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 m -96.88 99.11 10.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -160.4 123.96 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 40.9 m -104.75 112.6 25.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 40.1 t -96.62 -47.68 5.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -107.97 -164.77 21.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.563 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.1 p -60.79 97.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 63.4 m -154.3 116.28 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 167.21 148.06 5.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -68.57 104.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -102.38 111.73 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -139.65 166.34 24.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.01 139.89 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.54 128.4 44.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -112.65 120.72 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.32 167.08 12.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 71.08 41.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.61 113.61 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -45.72 143.26 3.19 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 2.02 3.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.13 -21.02 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.45 ' CG1' ' N ' ' A' ' 15' ' ' THR . 94.7 t -62.58 159.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.45 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 24.9 p -140.0 163.8 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.93 -36.31 62.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.93 -44.73 91.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 18.7 m-20 -66.88 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 mt -62.71 -47.48 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -66.79 -39.89 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.88 -32.46 70.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.8 tp -66.53 -49.57 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.544 ' CD2' HD22 ' A' ' 30' ' ' LEU . 10.6 m-85 -61.13 -46.97 88.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.36 -37.38 94.75 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.05 -29.01 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -92.06 19.83 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 59.3 36.23 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -132.45 80.86 61.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.46 57.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.544 HD22 ' CD2' ' A' ' 23' ' ' PHE . 3.5 mt -90.69 120.16 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -97.53 31.1 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.77 -150.49 5.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -99.71 154.77 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.8 t -122.12 128.89 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.35 131.95 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -119.06 114.8 23.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.434 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mptp? -110.02 159.25 17.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.6 m -69.17 88.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -13.22 13.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.2 p90 -156.63 177.4 11.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.27 151.81 19.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.434 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.5 m-85 -123.28 145.91 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 m -137.29 140.96 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -91.34 121.98 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -91.74 144.22 29.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.479 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.7 -44.72 1.95 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -143.31 162.7 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -62.76 -37.58 87.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.4 -40.53 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.479 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.0 t90 -65.1 -42.83 93.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.27 96.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -64.7 -44.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -44.94 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.99 -48.0 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.05 -38.06 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.4 -27.16 38.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.26 -74.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 27.7 t -51.11 127.42 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.41 -13.37 22.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -123.41 15.84 9.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.428 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 54.4 t -146.72 128.2 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.76 130.47 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.1 tp -119.62 119.54 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 62.76 34.19 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.87 -7.71 53.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -107.65 130.88 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.6 mm -68.0 128.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.428 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.6 ptm -84.5 133.39 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.25 127.46 55.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.2 t -118.96 127.39 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.7 m-20 -149.1 138.67 21.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ASP . 24.8 m-85 -35.67 139.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 t -87.11 85.99 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.68 136.69 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -91.72 -49.8 6.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -150.92 138.29 19.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -73.59 94.69 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -129.29 142.01 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -97.12 136.0 38.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -100.37 95.7 6.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.8 p -161.27 120.75 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 173.71 155.86 12.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 118.43 5.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.7 p -50.44 108.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.4 p -55.3 106.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 32.8 t -58.34 123.67 16.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 29.2 m -128.42 96.13 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 176.19 90.3 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.2 p -100.35 111.09 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.9 t -57.63 93.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -156.92 132.27 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.3 mtp -114.12 129.87 56.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -143.31 178.67 7.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -123.18 164.98 17.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.6 mt -109.96 138.31 46.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.04 131.77 39.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.12 122.0 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.47 162.54 12.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 t30 72.86 44.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -103.6 112.76 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.8 p -48.89 152.76 1.68 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 0.74 5.25 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 -23.85 13.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.5 t -48.15 133.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.7 p -116.72 160.06 21.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.96 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -62.92 -40.03 96.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.42 -47.51 83.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.43 -38.4 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -69.81 -32.58 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 15.0 tp -68.16 -49.6 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.0 m-85 -62.32 -41.81 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.02 93.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.52 -31.21 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.418 ' NH2' HG23 ' A' ' 57' ' ' THR . 10.7 mmm180 -89.51 20.0 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 62.42 30.55 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 84.3 mt -121.2 80.91 36.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.948 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 121.67 8.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.54 108.75 13.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.09 34.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.6 -166.75 12.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -84.23 153.67 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.3 t -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.4 mp -123.0 129.99 52.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.11 114.75 22.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.43 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 0.8 OUTLIER -109.64 159.81 16.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -67.87 92.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.89 -16.77 18.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.403 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 9.2 p90 -155.9 177.73 11.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.47 152.83 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.43 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 10.5 m-85 -121.95 144.49 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m -134.12 140.9 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.01 121.99 33.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -93.12 144.11 27.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.438 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.5 Cg_endo -69.75 -46.52 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -142.95 158.95 43.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -56.37 -40.94 75.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -42.92 99.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.438 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.0 t90 -63.23 -42.07 99.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.97 -45.21 93.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.56 -44.65 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.01 -46.5 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.7 mt -63.87 -47.61 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -62.85 -43.02 99.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.418 HG23 ' NH2' ' A' ' 26' ' ' ARG . 55.5 m -74.59 -25.23 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 98.4 mt -97.42 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 24.6 t -55.25 117.69 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.37 -10.33 73.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -134.77 13.8 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.3 t -147.82 132.7 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.447 ' HB3' ' CD1' ' A' ' 68' ' ' ILE . 24.6 pm0 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 tp -128.82 133.38 47.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 62.71 31.15 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 3.33 85.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -114.67 128.04 56.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 63' ' ' GLU . 10.9 mm -68.19 125.8 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.6 ptm -88.1 135.76 33.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -114.66 128.09 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.5 t -117.28 131.62 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -157.27 143.4 17.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.8 m-85 -35.69 126.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.9 p -77.4 89.51 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.54 156.31 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.4 t -125.42 -70.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 78' ' ' LYS . 6.3 tptm -173.96 106.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' LYS . 10.5 ptpp? -36.34 137.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 tp -54.02 142.65 24.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -144.59 141.74 29.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.9 p -150.75 135.47 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.7 m -101.52 -71.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 131.05 83.49 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 119.84 6.71 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.1 t -137.71 117.37 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.3 t -146.57 127.22 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.421 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 53.6 m -52.2 151.67 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 93.3 p -40.88 -47.49 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -99.46 -123.94 5.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.551 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.6 t -111.08 159.92 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 60.6 p -93.38 128.87 39.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' MET . . . -75.9 -167.95 24.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -37.43 128.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.822 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.512 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 1.6 p30 -82.22 121.22 26.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -147.86 166.72 26.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.0 mt -114.61 142.25 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 3.3 t80 -96.54 132.03 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.54 122.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.56 171.05 13.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 66.31 48.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD13 ' C ' ' A' ' 40' ' ' TYR . 80.2 mt -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.3 p -49.89 151.54 3.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.08 6.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.751 2.301 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.81 -12.53 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.9 t -68.69 134.21 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -117.67 161.66 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.1 -38.13 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -61.66 -41.65 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.26 -44.09 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 mt -59.03 -47.5 84.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -65.88 -44.53 85.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.16 -34.47 78.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.9 tp -65.18 -46.77 79.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.2 m-85 -66.15 -41.65 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.42 82.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.15 -31.99 73.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -89.79 20.04 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm 60.75 29.52 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -122.56 81.24 47.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.4 42.37 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' A' ' 23' ' ' PHE . 5.7 mt -87.41 113.14 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.52 32.36 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.33 -135.98 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -117.4 154.65 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.5 t -122.08 140.12 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.053 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.9 136.08 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.5 tp -114.11 114.49 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' CB ' ' CE2' ' A' ' 40' ' ' TYR . 51.4 mmtt -110.35 158.27 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -69.51 84.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.49 18.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.516 ' CE2' ' CB ' ' A' ' 37' ' ' LYS . 2.1 p90 -156.73 177.93 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.52 147.58 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.28 139.4 49.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.61 140.93 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -97.84 123.16 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' CZ ' ' HB2' ' A' ' 3' ' ' ASN . 52.5 p90 -94.98 143.93 26.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.708 0.766 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.76 2.306 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -133.81 152.33 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -55.04 -38.52 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -62.45 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -63.8 -42.07 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.419 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -60.75 -49.4 77.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.24 -44.61 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -68.42 -34.44 76.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -46.23 54.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.448 HG12 ' CG1' ' A' ' 71' ' ' VAL . 31.4 mt -64.17 -47.99 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.95 -40.87 98.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -78.1 -21.99 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.488 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 78.6 mt -96.59 -74.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t -56.59 126.0 24.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 -17.58 52.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -129.47 12.91 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.457 ' CG2' ' HA ' ' A' ' 58' ' ' LEU . 91.7 t -147.96 132.98 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.2 pm0 -134.75 147.69 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.6 tp -122.89 134.3 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 61.73 30.85 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.1 88.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -118.32 131.56 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.2 mm -68.57 128.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.1 ptm -91.65 136.46 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -108.72 131.2 55.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.448 ' CG1' HG12 ' A' ' 55' ' ' ILE . 12.2 t -124.36 131.03 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.3 m-20 -154.72 136.87 14.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' ASP . 3.4 m-85 -36.59 139.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -93.27 58.86 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 m -98.97 -3.05 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.7 m -81.21 147.17 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -172.24 138.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 160.85 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 tp -126.8 139.8 52.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -157.4 154.94 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.9 p 51.44 42.94 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 87.1 p -83.74 96.15 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.84 68.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 114.79 3.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -104.16 129.45 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 56.2 p -170.59 137.55 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.09 136.79 48.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.1 128.41 40.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.88 121.43 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.04 167.45 12.32 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.52 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 70.83 41.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.3 112.6 25.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -50.85 151.46 4.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.0 6.29 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -13.03 16.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.22 135.49 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -121.65 162.36 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.84 62.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -42.92 92.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -67.35 -39.76 85.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.03 -47.43 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 31.8 ptt180 -66.69 -38.28 86.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 tt0 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.822 HD21 HG11 ' A' ' 62' ' ' VAL . 14.6 tp -67.06 -48.67 67.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CD2' HD21 ' A' ' 30' ' ' LEU . 9.4 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.51 -38.54 90.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -31.24 69.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD2' HG22 ' A' ' 57' ' ' THR . 5.0 mmt180 -89.85 19.4 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 60.82 32.43 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -127.36 80.14 72.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.11 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.401 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.768 HD13 ' CG2' ' A' ' 34' ' ' VAL . 5.3 mt -99.41 109.88 22.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.68 30.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.57 -132.57 2.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -119.82 153.99 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.768 ' CG2' HD13 ' A' ' 30' ' ' LEU . 42.3 t -122.02 139.19 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -128.72 133.81 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.1 114.95 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -109.98 158.43 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.5 t -67.6 92.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.69 -16.77 18.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.36 177.95 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.22 155.81 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.22 145.68 48.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.68 141.02 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.38 122.16 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 9.4 p90 -95.05 144.25 27.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.8 Cg_endo -69.83 -48.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.09 166.59 24.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.08 -39.65 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.478 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.7 t90 -65.06 -42.06 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.98 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.58 -44.96 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -69.97 -41.36 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.0 92.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.3 mt -61.57 -47.77 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -35.1 78.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.402 HG22 ' HD2' ' A' ' 26' ' ' ARG . 78.8 m -80.69 -25.29 38.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HA ' HG23 ' A' ' 62' ' ' VAL . 71.5 mt -100.35 -71.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.0 t -54.7 122.44 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.67 -2.9 71.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -131.41 11.75 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.822 HG11 HD21 ' A' ' 22' ' ' LEU . 84.6 t -146.52 131.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 68' ' ' ILE . 16.1 tt0 -119.57 132.52 55.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 64' ' ' LEU . 10.9 tp -124.1 125.59 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.0 m80 62.17 29.23 17.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.52 3.86 90.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.541 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -119.19 131.0 55.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 63' ' ' GLU . 29.4 mm -68.04 127.07 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.599 ' SD ' HD21 ' A' ' 22' ' ' LEU . 9.8 ptm -83.18 137.53 34.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -112.33 129.48 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 t -123.96 130.75 73.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -154.98 155.3 33.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -53.74 122.72 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.822 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 74' ' ' SER . 42.1 mttm . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.789 0.328 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.597 HD22 HD11 ' A' ' 55' ' ' ILE . 12.5 mt -109.99 129.5 55.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -94.1 130.74 40.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -112.36 122.05 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.6 168.03 12.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.556 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.02 40.5 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -96.7 111.01 23.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.634 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.1 t -39.91 143.61 0.58 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.819 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.89 3.09 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.64 -18.65 13.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.634 HG23 ' HB3' ' A' ' 11' ' ' SER . 43.2 t -56.04 160.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.527 ' N ' HG12 ' A' ' 14' ' ' VAL . 26.4 p -144.47 160.07 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.1 -34.18 55.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -43.17 98.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.02 -37.67 81.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.1 mt -63.84 -47.49 80.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.73 -41.01 92.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.43 -37.2 77.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.891 HD21 HG11 ' A' ' 62' ' ' VAL . 47.4 tp -62.98 -48.59 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.671 ' CZ ' ' CD1' ' A' ' 58' ' ' LEU . 8.1 m-85 -62.89 -46.72 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -38.58 94.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.87 -24.81 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -95.55 18.86 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 57.34 35.31 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 mt -131.57 80.52 66.58 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.97 66.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mt -102.03 111.77 24.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.28 27.71 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.34 -153.9 6.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 3.0 tp-100 -96.33 152.51 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.467 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 60.8 t -117.82 136.57 54.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.4 tt -129.05 129.6 45.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -118.87 114.9 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 11.7 mmmt -110.05 158.96 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -67.91 92.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.51 14.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.542 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 p90 -157.04 176.85 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.27 152.54 31.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -124.08 139.14 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -134.81 141.02 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -89.81 121.91 32.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -91.55 144.65 29.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.76 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.1 163.05 30.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -62.9 -38.2 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.472 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 13.8 t-20 -66.09 -45.65 80.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.535 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 40.8 t90 -58.64 -42.07 87.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.44 79.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.1 mt -62.23 -44.8 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -68.81 -38.19 79.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.38 -46.76 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.725 HG23 ' HB ' ' A' ' 71' ' ' VAL . 48.1 mt -62.71 -47.66 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.72 -40.15 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 m -76.96 -24.23 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.671 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 mt -97.18 -73.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' ' 71' ' ' VAL . 38.2 t -57.95 123.2 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.65 -16.88 55.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -128.27 20.72 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.891 HG11 HD21 ' A' ' 22' ' ' LEU . 55.3 t -147.91 127.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.06 136.4 52.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.6 tp -125.87 121.08 32.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.6 m80 63.64 25.24 14.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.85 -13.38 64.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -104.38 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' ' 63' ' ' GLU . 11.9 mm -68.01 130.03 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.499 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 6.1 ptm -83.65 138.01 33.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -115.2 123.1 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.725 ' HB ' HG23 ' A' ' 55' ' ' ILE . 13.2 t -115.07 133.68 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -149.28 148.74 29.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -47.08 139.89 5.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 6.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.17 135.27 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -93.95 128.75 40.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.21 121.39 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.19 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.57 166.12 12.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 t30 71.49 41.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.03 127.99 47.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -62.9 147.86 93.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.3 15.87 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.27 -21.66 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.12 142.81 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -124.03 164.71 18.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.88 -41.33 74.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.97 -40.52 85.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -66.49 -42.02 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.7 mt -61.31 -47.62 85.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -61.98 -43.29 99.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.63 -34.72 76.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.28 -49.59 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.497 ' CD2' HD21 ' A' ' 30' ' ' LEU . 10.0 m-85 -64.62 -45.02 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.88 -37.71 94.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.73 -24.14 67.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HD2' HG22 ' A' ' 57' ' ' THR . 12.7 mmt-85 -95.12 19.13 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 61.11 37.58 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.9 mt -133.45 81.06 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 125.49 12.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 23' ' ' PHE . 14.3 mt -76.46 98.65 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.41 34.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.35 -140.84 3.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -112.17 151.83 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.0 t -122.01 137.75 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -129.01 124.12 34.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.96 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 14.3 mmmt -110.1 159.26 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -67.95 92.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.68 -14.87 26.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.0 p90 -155.48 178.04 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -159.23 143.93 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.24 141.37 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.4 140.95 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -92.03 121.98 34.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.55 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 33.0 p90 -92.04 143.07 27.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.713 0.768 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.1 Cg_endo -69.67 -50.23 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -137.1 161.91 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.79 -38.63 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.98 -44.17 93.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 31.7 t90 -64.93 -42.04 95.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.62 -44.38 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -69.34 -33.47 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.92 -46.6 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 59' ' ' SER . 23.1 mt -64.51 -47.74 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.01 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.412 HG22 ' HD2' ' A' ' 26' ' ' ARG . 17.5 m -79.93 -24.4 41.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.615 HD23 HG21 ' A' ' 62' ' ' VAL . 58.4 mt -99.69 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.0 t -56.19 116.08 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.64 -6.68 72.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 10.31 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.615 HG21 HD23 ' A' ' 58' ' ' LEU . 29.2 t -146.9 129.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -119.74 130.79 55.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 64' ' ' LEU . 11.5 tp -119.72 124.12 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 62.34 31.68 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.77 86.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -117.46 130.66 56.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -69.03 128.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.491 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.1 ptm -86.46 136.61 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -114.6 122.56 46.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG12 HG12 ' A' ' 55' ' ' ILE . 11.3 t -119.95 128.1 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.48 146.1 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -38.69 153.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.5 mttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 mt -112.97 137.69 50.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -98.45 118.92 36.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.82 123.89 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.91 163.86 12.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 70.38 42.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -104.99 104.83 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -41.85 151.19 0.33 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.749 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.14 6.03 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -101.1 -16.2 17.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.28 140.96 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.2 p -124.31 155.75 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.43 67.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.5 -40.12 90.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.17 -38.6 82.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -63.57 -47.61 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 4.2 ptp180 -64.5 -42.77 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.0 -35.26 78.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.65 HD21 HG11 ' A' ' 62' ' ' VAL . 28.6 tp -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -65.03 -46.6 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -35.23 91.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -60.95 -35.44 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.325 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -90.05 19.83 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.07 40.54 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.75 78.64 48.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 110.64 2.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.297 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 34' ' ' VAL . 10.7 mt -60.18 102.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.49 37.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.79 -159.44 9.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 29.3 tp60 -92.99 152.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 30' ' ' LEU . 95.4 t -122.26 137.06 57.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.2 tt -129.02 133.59 47.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 tp -118.65 114.72 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.2 mmtp -110.22 158.4 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -67.78 92.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.79 14.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.2 p90 -156.53 173.67 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.84 149.53 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -119.65 119.28 33.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.98 140.92 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -91.52 126.17 36.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -99.22 144.2 27.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.79 -50.04 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.68 2.254 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.44 155.6 46.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.18 -38.13 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -62.05 -42.35 99.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.8 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.469 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 45.6 t90 -65.03 -44.77 88.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.62 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.6 -44.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -68.76 -39.93 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.59 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' SER . 19.9 mt -64.71 -47.46 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.98 -39.08 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.0 m -79.76 -23.02 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 62' ' ' VAL . 38.4 mt -102.27 -74.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.1 t -52.36 117.69 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.81 45.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -121.18 18.6 11.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.65 HG11 HD21 ' A' ' 22' ' ' LEU . 39.1 t -147.66 128.8 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -110.56 143.66 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 64' ' ' LEU . 10.0 tp -136.39 119.11 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 20.1 m-70 63.76 25.05 14.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.11 78.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -109.52 133.17 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.02 129.71 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.484 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.2 ptm -83.56 137.2 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -116.19 126.08 53.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' CG1' HG12 ' A' ' 55' ' ' ILE . 6.1 t -117.67 129.97 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -40.71 152.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 -179.879 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.94 137.12 48.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 128.92 40.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -113.15 120.67 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.37 169.1 12.89 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.74 34.78 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -95.88 133.65 39.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.496 ' HB3' HG23 ' A' ' 14' ' ' VAL . 12.6 t -65.66 142.34 98.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.67 0.748 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.29 5.91 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.35 -12.4 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 11' ' ' SER . 92.3 t -74.73 140.78 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.1 p -118.45 166.86 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -53.88 -31.12 48.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.049 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -66.73 -39.98 88.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.77 -41.48 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -62.76 -47.63 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.51 -39.96 94.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.16 -32.87 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.739 HD21 HG11 ' A' ' 62' ' ' VAL . 37.9 tp -67.03 -48.92 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CD2' HD21 ' A' ' 30' ' ' LEU . 16.0 m-85 -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.49 -35.93 82.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.37 -33.25 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.759 0.314 . . . . 0.0 110.794 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -86.9 14.06 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? 62.61 39.12 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 10.2 mt -128.05 79.88 73.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 23' ' ' PHE . 7.5 mt -58.23 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.46 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.04 -147.11 4.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 7.2 tp60 -100.57 151.56 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 20.8 t -122.21 137.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -129.05 127.09 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 16' ' ' ALA . 36.8 tp -119.06 114.54 22.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.7 mmmt -110.47 160.6 16.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.2 m -68.36 91.36 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.09 -16.64 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.5 p90 -156.56 176.47 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.04 148.96 15.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -119.31 146.11 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.7 140.88 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.39 122.31 33.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -92.45 143.95 28.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.738 0.78 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.85 -38.22 7.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -150.74 166.34 30.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -64.11 -39.68 94.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -62.72 -45.79 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.482 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.3 t90 -60.5 -43.33 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.32 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.1 mt -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -69.68 -42.0 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.4 mt -64.08 -47.95 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.03 -36.05 82.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -80.94 -23.23 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 62' ' ' VAL . 77.6 mt -101.61 -67.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ILE . 11.2 t -54.96 117.49 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.11 -10.08 50.33 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -120.98 8.76 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.739 HG11 HD21 ' A' ' 22' ' ' LEU . 22.6 t -147.58 128.73 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.542 ' HB2' HD13 ' A' ' 68' ' ' ILE . 29.7 tt0 -117.49 129.99 56.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 14' ' ' VAL . 9.1 tp -117.42 125.52 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.0 m80 60.01 37.17 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.31 -4.3 42.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.538 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -109.97 131.39 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.687 0.28 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.542 HD13 ' HB2' ' A' ' 63' ' ' GLU . 17.9 mm -68.61 129.9 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.3 ptm -83.11 136.76 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -114.13 123.12 48.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' A' ' 55' ' ' ILE . 5.6 t -117.9 126.4 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -152.53 139.18 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -37.68 148.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mt -110.85 143.0 42.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -95.22 126.95 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mt -111.14 120.96 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.79 168.54 12.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.9 35.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -97.89 119.02 35.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.43 149.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.611 0.72 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.43 14.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.52 -19.04 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 144.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 p -124.62 161.02 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.51 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -58.97 -42.22 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.93 -38.21 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.8 mt -63.66 -47.5 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.08 -44.64 91.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -66.12 -33.01 74.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.736 HD21 HG11 ' A' ' 62' ' ' VAL . 21.9 tp -64.16 -49.49 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.514 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 10.5 m-85 -63.79 -43.02 97.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.79 -33.95 76.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -63.91 -24.64 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 2.5 mmp_? -96.64 19.37 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.41 37.23 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 54' ' ' ALA . 6.9 mt -134.85 80.62 48.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.643 0.735 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 132.88 24.25 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.514 HD23 ' CH2' ' A' ' 50' ' ' TRP . 12.1 mt -75.36 114.33 13.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.74 34.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.93 -150.7 5.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.28 154.8 18.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.431 ' CG2' HD13 ' A' ' 30' ' ' LEU . 47.2 t -122.05 136.77 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -128.58 124.51 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -110.91 114.83 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 19.3 mmmt -110.1 159.37 17.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -68.28 91.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.85 21.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 37' ' ' LYS . 7.9 p90 -156.14 178.05 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.74 150.33 17.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -118.2 143.97 46.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 m -135.84 140.95 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.41 123.88 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 51.8 p90 -101.0 144.62 28.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.904 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -145.18 165.34 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.7 -33.79 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.83 -46.11 89.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.514 ' CH2' HD23 ' A' ' 30' ' ' LEU . 33.1 t90 -65.87 -44.94 83.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -64.12 -50.9 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.3 mt -59.24 -43.09 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -70.0 -38.03 75.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 28' ' ' LEU . . . -66.88 -46.35 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 30.2 mt -64.78 -47.67 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.0 -36.9 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 75.5 m -80.49 -29.77 37.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 62' ' ' VAL . 45.9 mt -95.19 -67.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.6 t -56.75 113.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 1.46 89.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -133.87 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.736 HG11 HD21 ' A' ' 22' ' ' LEU . 25.2 t -147.49 130.72 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -120.4 130.79 54.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 64' ' ' LEU . 11.0 tp -120.21 127.19 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 59.96 26.29 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.96 -9.6 71.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -104.35 131.06 52.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.18 129.9 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.3 ptm -84.25 135.59 34.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -112.82 127.35 56.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 55' ' ' ILE . 2.4 t -120.65 131.13 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -152.21 145.32 24.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.6 139.8 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.838 -179.808 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.14 137.76 53.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -93.98 129.67 40.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -109.5 127.78 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.38 166.89 12.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 66.64 50.88 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.3 110.38 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -46.27 150.95 1.02 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.11 20.22 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -95.17 -15.97 22.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.481 ' CG2' HD23 ' A' ' 64' ' ' LEU . 88.2 t -56.72 145.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -127.07 155.27 43.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.79 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.06 -40.1 87.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.2 mt -63.43 -47.4 82.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 15.7 ptm180 -67.12 -43.45 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.2 mm100 -66.92 -39.72 87.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.689 HD11 HG21 ' A' ' 62' ' ' VAL . 15.8 tp -60.26 -48.17 82.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 8.9 m-85 -62.26 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.42 -35.73 92.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.83 -37.2 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.03 19.25 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp 60.78 28.85 18.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -113.21 77.82 3.02 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.692 0.758 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.48 2.56 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.742 2.295 . . . . 0.0 112.381 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.529 HD23 ' CH2' ' A' ' 50' ' ' TRP . 11.0 mt -66.69 107.71 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.83 -152.25 5.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 34' ' ' VAL . 1.9 tm0? -103.03 157.04 17.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.553 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 40.2 t -122.1 135.73 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -124.42 128.06 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -112.72 114.4 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.499 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 13.6 mmtp -110.58 159.09 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 t -67.24 96.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.14 -19.04 23.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CD1' ' HB2' ' A' ' 37' ' ' LYS . 18.2 p90 -157.01 175.01 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.09 144.53 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -109.51 146.08 35.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.62 140.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.87 121.94 33.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -102.23 145.35 30.35 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -142.91 163.52 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -58.35 -36.4 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.94 -44.38 96.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.529 ' CH2' HD23 ' A' ' 30' ' ' LEU . 41.3 t90 -62.19 -43.58 98.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -50.72 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.3 mt -61.35 -45.04 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -68.26 -34.24 75.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.02 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.8 mt -64.24 -48.05 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.08 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.8 -25.91 37.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.567 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 68.9 mt -104.27 -72.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.5 t -51.7 124.1 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.98 4.98 88.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -129.3 -30.27 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.689 HG21 HD11 ' A' ' 22' ' ' LEU . 13.5 p -118.42 143.74 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.925 ' HB3' HD13 ' A' ' 68' ' ' ILE . 23.6 pm0 -132.15 145.02 51.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD23 ' CG2' ' A' ' 14' ' ' VAL . 6.8 tp -115.46 128.45 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.3 m-70 63.86 26.67 14.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.3 81.82 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.433 ' C ' ' HB2' ' A' ' 63' ' ' GLU . 41.2 mttm -105.13 130.42 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.925 HD13 ' HB3' ' A' ' 63' ' ' GLU . 8.0 mm -68.01 130.05 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.548 ' SD ' HG13 ' A' ' 62' ' ' VAL . 9.1 ptm -90.86 136.02 33.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.86 126.61 55.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 55' ' ' ILE . 61.6 t -111.76 126.39 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.9 t70 -153.66 144.1 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.6 m-85 -34.49 144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.867 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.774 0.321 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.1 mt -110.73 141.31 44.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 2.8 t80 -98.32 129.14 45.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -110.88 123.02 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.53 161.26 12.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 73.08 46.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -106.84 113.61 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -44.83 147.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.741 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -1.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.55 -18.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.6 t -57.39 140.63 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 p -119.48 158.36 26.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.8 -33.53 64.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -40.39 92.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.793 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -41.56 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -60.34 -47.52 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -65.49 -41.81 92.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -34.69 77.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' SD ' ' A' ' 69' ' ' MET . 31.4 tp -64.18 -48.93 74.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.615 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.4 m-85 -60.96 -44.84 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.18 91.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -32.99 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 19.9 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? 63.2 25.83 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.94 78.71 7.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.715 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 113.53 3.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 23' ' ' PHE . 4.9 mt -65.12 119.82 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.62 19.41 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.21 -144.38 4.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.55 163.26 14.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.16 144.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.06 135.88 49.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -113.59 114.36 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 19.9 mmmt -110.46 158.35 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -69.16 86.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.6 -11.02 18.89 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 2.7 p90 -157.07 177.99 10.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.908 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.51 144.85 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -109.5 146.07 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.21 140.83 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -92.24 124.32 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -102.66 146.71 32.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -142.89 163.85 31.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -62.03 -45.66 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 t90 -61.21 -42.07 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.69 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -60.52 -42.52 91.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.77 -39.96 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.23 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' SER . 31.1 mt -61.84 -47.7 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.69 -38.31 89.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -79.26 -23.53 43.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 72.9 mt -101.16 -72.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.0 t -55.02 117.42 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.36 -10.79 62.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 5.85 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.595 HG21 HD23 ' A' ' 58' ' ' LEU . 54.9 t -148.02 133.67 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.702 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.0 pm0 -132.18 148.0 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 tp -127.89 137.16 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.3 m80 59.83 31.62 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.52 10.77 84.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -122.27 132.3 54.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 63' ' ' GLU . 15.3 mm -67.94 127.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.58 ' SD ' HD21 ' A' ' 22' ' ' LEU . 7.4 ptm -87.35 131.94 34.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -108.97 123.01 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.76 128.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -150.82 154.02 36.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.28 163.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mttp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.428 HD22 HD11 ' A' ' 55' ' ' ILE . 9.9 mt -113.3 142.99 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.49 127.04 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.48 HG12 HG13 ' A' ' 71' ' ' VAL . 26.2 mt -111.18 122.1 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.194 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.87 168.22 12.51 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 70.83 41.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 mt -96.96 128.18 43.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -66.08 150.32 96.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.2 -14.66 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.575 ' CG2' HD23 ' A' ' 64' ' ' LEU . 86.2 t -67.86 137.73 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 p -122.12 163.24 19.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.6 -39.82 65.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.7 -40.38 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.74 -41.53 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -59.08 -47.49 85.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 12.2 ptm180 -66.0 -42.35 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.4 mm-40 -63.8 -33.29 75.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD21 ' SD ' ' A' ' 69' ' ' MET . 55.1 tp -68.22 -49.53 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.443 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.7 m-85 -64.1 -45.08 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.05 -34.41 88.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.416 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.23 -31.3 72.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.78 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.73 19.89 3.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER 62.42 26.66 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.59 80.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.9 31.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 34' ' ' VAL . 8.7 mt -85.92 105.65 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 35.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.28 -146.04 4.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -106.22 154.3 20.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' CG2' HD13 ' A' ' 30' ' ' LEU . 51.1 t -122.02 135.74 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.72 127.46 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.83 114.89 27.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 38.2 mmtt -110.12 158.29 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -67.03 94.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.58 -18.84 22.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 15.9 p90 -155.93 177.92 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.98 153.18 27.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -120.13 138.26 53.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.57 140.99 46.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -94.55 122.37 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -95.52 146.84 32.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.726 0.774 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.82 -47.92 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.742 2.295 . . . . 0.0 112.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -140.05 169.08 18.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HG2' HD11 ' A' ' 52' ' ' ILE . 44.4 tt0 -67.12 -38.42 85.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -62.5 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.408 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 33.2 t90 -65.4 -42.24 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.11 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.403 HD11 ' HG2' ' A' ' 48' ' ' GLN . 58.8 mt -58.74 -44.98 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -70.0 -38.67 76.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.87 77.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.454 HG23 ' HB ' ' A' ' 71' ' ' VAL . 64.8 mt -64.37 -47.81 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.78 -37.19 85.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 m -80.99 -27.89 35.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.655 HD23 HG21 ' A' ' 62' ' ' VAL . 72.3 mt -90.78 -71.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -57.06 122.75 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.4 -7.65 63.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -129.98 4.52 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.655 HG21 HD23 ' A' ' 58' ' ' LEU . 54.7 t -145.03 135.06 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' CB ' HD13 ' A' ' 68' ' ' ILE . 1.9 pt-20 -131.39 140.04 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.575 HD23 ' CG2' ' A' ' 14' ' ' VAL . 9.4 tp -119.72 132.7 55.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.1 m80 61.45 44.12 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.98 11.25 43.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -122.61 135.71 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.708 0.289 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.478 HD13 ' CB ' ' A' ' 63' ' ' GLU . 20.1 mm -71.59 128.34 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.436 ' SD ' HD21 ' A' ' 22' ' ' LEU . 5.6 ptm -89.88 136.36 33.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -113.15 127.86 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.48 HG13 HG12 ' A' ' 7' ' ' ILE . 4.7 t -121.51 134.48 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -150.93 144.99 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -45.11 147.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.849 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 mttm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.833 0.349 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -110.16 133.9 52.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.7 OUTLIER -94.07 130.42 40.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -111.24 122.17 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.26 162.86 12.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 72.3 40.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.842 0.354 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 10' ' ' LEU . 23.6 mt -93.89 121.12 35.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.53 ' HB2' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -51.81 149.78 8.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.15 -16.95 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 11' ' ' SER . 95.5 t -57.46 130.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.2 p -117.44 158.32 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.7 64.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.07 -42.58 98.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.63 -39.33 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.3 mt -60.14 -47.5 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -62.69 -44.3 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -66.33 -39.06 88.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' CE ' ' A' ' 69' ' ' MET . 21.1 tp -61.81 -47.2 86.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' CD2' HD21 ' A' ' 30' ' ' LEU . 6.0 m-85 -63.58 -44.31 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.32 -35.22 91.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.87 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -90.2 18.07 6.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 42.18 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 54' ' ' ALA . 13.3 mt -132.69 80.85 60.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 129.0 16.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.592 HD13 ' CG2' ' A' ' 34' ' ' VAL . 12.7 mt -77.45 101.42 6.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.96 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 46' ' ' PRO . . . -83.0 38.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.4 -143.48 3.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -108.5 154.21 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' A' ' 30' ' ' LEU . 31.7 t -122.04 135.45 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.95 128.14 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -112.76 114.83 27.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 21.7 mmtm -110.2 158.81 17.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -67.31 94.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.26 -18.29 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.8 p90 -156.61 176.57 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.3 148.3 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -114.24 145.27 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.0 m -140.93 141.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -93.27 124.98 37.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -96.17 144.12 27.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.69 -47.02 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -139.7 165.66 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.54 -39.99 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -62.59 -45.41 93.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.535 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.9 t90 -61.84 -41.98 98.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.26 93.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.3 -45.06 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -69.94 -38.5 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -65.81 -45.83 80.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' SER . 38.6 mt -62.84 -47.62 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.73 -37.93 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.9 m -80.05 -26.38 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 62' ' ' VAL . 78.5 mt -96.71 -69.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.4 t -57.48 112.96 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.62 -0.71 85.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -132.41 5.94 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 75.5 t -147.02 133.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.8 148.84 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 tp -130.05 133.52 46.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.9 m80 61.04 25.25 15.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.22 2.47 89.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -110.86 136.36 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.45 125.59 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.49 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 7.2 ptm -88.3 134.23 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -113.64 136.65 52.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.4 131.28 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -155.2 153.6 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -46.76 126.94 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.3 mttt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -113.22 145.1 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 1.1 t80 -94.88 129.58 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.41 120.21 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.84 167.82 12.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.22 35.58 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.931 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -96.17 121.12 37.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.567 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -50.43 143.66 13.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.11 -14.49 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 11' ' ' SER . 76.6 t -56.6 151.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.6 p -129.08 155.0 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.98 -36.52 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.85 -41.05 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.69 -41.01 88.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -59.04 -47.55 84.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -63.93 -44.79 91.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -40.17 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.63 HD11 HG21 ' A' ' 62' ' ' VAL . 26.6 tp -60.94 -48.85 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 12.0 m-85 -64.48 -38.27 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.48 -40.81 67.69 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.88 -23.55 66.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 mmt-85 -92.47 18.78 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm 60.55 36.09 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 23.5 mt -131.99 81.14 63.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.8 18.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.746 2.297 . . . . 0.0 112.303 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 23' ' ' PHE . 8.2 mt -85.13 104.36 14.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.58 36.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -153.69 6.21 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 4.1 tp-100 -96.76 152.09 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 88.3 t -122.24 134.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 2.9 mp -128.82 131.41 47.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -116.74 114.72 24.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 23.3 mmtp -110.26 158.93 17.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 m -67.42 94.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.788 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 -17.41 25.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 20.1 p90 -156.38 178.03 10.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.904 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 35' ' ' LEU . . . -156.22 155.94 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -121.61 135.61 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.1 m -130.26 140.95 47.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -93.52 122.01 35.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -95.65 144.33 27.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.738 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -46.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.475 ' OD2' ' ND2' ' A' ' 49' ' ' ASN . 3.3 t70 -143.71 162.19 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.7 -38.41 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.475 ' ND2' ' OD2' ' A' ' 47' ' ' ASP . 24.0 m-80 -62.19 -41.5 98.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.76 -41.95 91.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.1 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -70.06 -29.33 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.02 -45.88 55.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.574 HG23 ' HB3' ' A' ' 59' ' ' SER . 24.1 mt -62.73 -47.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.4 m -75.9 -27.1 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 91.2 mt -103.84 -75.05 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.574 ' HB3' HG23 ' A' ' 55' ' ' ILE . 39.0 t -55.71 124.6 17.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.25 -3.75 70.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -124.3 -16.22 6.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 22' ' ' LEU . 4.4 p -136.08 143.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.899 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -128.98 146.79 50.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -121.5 133.76 55.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.1 m80 63.92 25.03 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.33 -2.3 87.48 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.436 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' C ' ' HB2' ' A' ' 63' ' ' GLU . 25.6 mtpp -112.94 134.76 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.899 HD13 ' HB3' ' A' ' 63' ' ' GLU . 15.6 mm -68.79 130.02 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 4.1 ptm -84.51 138.29 32.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -117.17 123.69 47.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.56 130.22 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.5 t70 -155.6 140.07 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 91.0 m-85 -36.2 132.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.804 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.7 mttp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.15 138.98 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -94.47 122.99 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -102.98 122.03 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.41 168.86 12.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 68.22 46.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -108.25 109.74 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -47.77 154.92 0.87 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -2.95 11.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.43 ' HB3' ' NE2' ' A' ' 65' ' ' HIS . . . -100.66 -13.62 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG13 HD21 ' A' ' 64' ' ' LEU . 57.7 t -58.47 144.3 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 p -128.64 155.52 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -55.33 -40.19 70.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.71 -40.67 88.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.799 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.3 mt -62.95 -47.44 83.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -62.5 -45.05 94.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.96 -31.67 71.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.827 HD11 ' CG2' ' A' ' 62' ' ' VAL . 16.3 tp -64.26 -48.86 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CD2' HD21 ' A' ' 30' ' ' LEU . 11.4 m-85 -64.96 -40.73 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.36 -35.76 91.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 19.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 59.75 39.25 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -121.47 80.15 38.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 110.05 2.47 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.328 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD21 ' CD2' ' A' ' 23' ' ' PHE . 13.4 mt -66.47 100.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.63 37.29 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -154.78 6.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 25.5 tp60 -97.83 152.3 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 46.2 t -122.14 136.42 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -128.95 130.69 47.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 16' ' ' ALA . 53.6 tp -110.54 114.88 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 31.5 mmtm -110.22 158.03 18.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 t -68.0 90.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.69 -15.03 22.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.1 p90 -156.35 178.13 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.11 151.16 27.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.1 128.5 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.24 140.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.85 123.16 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -98.87 145.27 29.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.984 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.46 3.4 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.1 160.0 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.84 -36.69 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -62.09 -45.96 91.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -60.85 -42.44 97.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.77 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -60.84 -45.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 -69.44 -35.04 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.75 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' SER . 22.6 mt -62.99 -47.91 90.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.94 -39.17 93.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.4 m -80.24 -22.02 42.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.526 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 66.6 mt -102.43 -70.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.5 t -51.0 122.01 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.476 ' HA2' HG21 ' A' ' 68' ' ' ILE . . . 78.91 -14.03 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -107.11 -10.63 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.827 ' CG2' HD11 ' A' ' 22' ' ' LEU . 9.2 p -129.92 128.4 64.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -111.53 129.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.474 HD21 HG13 ' A' ' 14' ' ' VAL . 12.9 tp -118.85 119.69 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 13' ' ' ALA . 13.5 m80 64.0 36.29 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.44 -1.83 59.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -116.55 128.88 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.476 HG21 ' HA2' ' A' ' 60' ' ' GLY . 15.7 mm -67.82 130.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.529 ' SD ' HG11 ' A' ' 62' ' ' VAL . 10.3 ptm -87.98 138.25 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -113.43 123.44 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.43 126.05 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -154.44 141.46 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.6 m-85 -35.42 148.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.839 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.9 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.767 0.318 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.0 137.89 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 124.86 38.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.454 HG23 HG22 ' A' ' 71' ' ' VAL . 5.2 mt -109.73 120.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.01 168.53 12.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.72 43.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -104.08 118.44 36.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -48.45 143.65 7.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.44 -15.75 14.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.594 HG21 HD23 ' A' ' 64' ' ' LEU . 54.3 t -67.65 146.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -126.47 174.14 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.07 75.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.6 -41.8 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -68.43 -42.89 78.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.2 mt -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 11.8 ptm180 -66.15 -41.04 90.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.6 tt0 -68.09 -35.44 78.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.718 HD21 HG11 ' A' ' 62' ' ' VAL . 29.1 tp -63.89 -49.87 70.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 10.8 m-85 -63.96 -40.27 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.74 93.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -59.24 -33.42 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.02 19.02 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt 59.47 42.44 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 16.9 mt -124.59 76.51 63.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 109.33 2.27 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.724 2.282 . . . . 0.0 112.391 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.598 HD13 ' CG2' ' A' ' 34' ' ' VAL . 6.7 mt -57.4 100.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.21 41.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.54 -130.84 1.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -119.0 151.43 38.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.598 ' CG2' HD13 ' A' ' 30' ' ' LEU . 46.5 t -122.06 135.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.03 132.38 47.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -117.82 114.96 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 24.5 mmtp -110.1 158.95 17.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -68.31 90.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 -14.88 17.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.0 p90 -155.83 177.34 11.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.82 151.47 23.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.34 137.82 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.48 140.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -91.72 121.98 33.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -92.09 143.66 27.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.72 0.771 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.75 -49.95 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.414 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -139.64 167.5 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -62.83 -38.71 91.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -64.26 -42.79 96.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.549 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 36.8 t90 -62.88 -42.78 99.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.69 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.53 -44.05 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -69.67 -38.08 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -47.01 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' SER . 28.8 mt -62.4 -48.12 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.56 -40.46 94.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 m -79.23 -22.56 44.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.623 HD23 HG21 ' A' ' 62' ' ' VAL . 87.4 mt -99.86 -70.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.0 t -56.49 115.74 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.67 -4.47 78.77 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -126.53 8.8 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.718 HG11 HD21 ' A' ' 22' ' ' LEU . 87.4 t -147.36 130.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.06 146.84 34.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 14' ' ' VAL . 10.0 tp -137.2 119.94 16.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.0 m80 62.54 25.91 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.64 -13.07 65.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -104.61 131.71 51.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.01 129.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ptm -83.01 132.73 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -113.74 125.73 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 55' ' ' ILE . 21.3 t -118.6 127.46 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' TYR . 1.1 m-20 -150.3 136.82 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' ASP . 34.2 m-85 -34.54 136.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.8 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.584 HD22 HD11 ' A' ' 55' ' ' ILE . 10.8 mt -110.01 131.74 54.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.04 127.46 39.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.8 mt -109.17 122.0 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.52 162.97 12.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 45.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.59 116.29 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.566 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.4 t -46.47 143.27 4.02 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.721 0.772 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 0.29 5.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.87 -18.09 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 11' ' ' SER . 71.3 t -60.32 158.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.511 ' N ' HG12 ' A' ' 14' ' ' VAL . 75.8 p -140.68 161.41 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.33 -31.4 33.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.33 -42.19 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.08 -38.91 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.2 mt -62.78 -47.55 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -63.94 -44.08 93.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -68.29 -31.17 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.697 HD21 HG11 ' A' ' 62' ' ' VAL . 28.3 tp -64.46 -49.97 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 9.8 m-85 -66.41 -42.33 87.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.01 -36.54 93.61 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.43 -34.03 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -85.41 19.29 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 59.62 38.12 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.19 80.66 68.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.551 0.691 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.52 13.42 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.87 110.77 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.32 29.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.19 -142.18 3.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -109.34 157.59 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -122.04 135.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.67 128.88 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 17.1 tp -119.14 114.4 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD2' ' C ' ' A' ' 36' ' ' LEU . 2.8 mptt -106.92 162.36 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 p -69.21 89.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.18 -14.11 13.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.435 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.7 p90 -156.87 178.04 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.915 0.388 . . . . 0.0 110.982 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.25 146.81 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -116.72 146.07 43.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.12 140.89 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -89.65 128.02 36.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 29.3 p90 -99.19 144.08 27.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.97 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.6 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.17 174.58 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.09 -40.55 74.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.2 -45.45 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 28.8 t90 -63.07 -42.06 99.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -62.73 -50.94 69.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.5 -44.96 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -68.56 -37.39 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.08 77.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.584 HD11 HD22 ' A' ' 5' ' ' LEU . 37.4 mt -63.09 -48.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.33 -36.5 78.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.5 m -80.04 -27.0 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.643 HD23 HG21 ' A' ' 62' ' ' VAL . 44.0 mt -97.49 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.3 t -53.65 108.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.13 -18.32 57.05 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -118.7 17.52 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.697 HG11 HD21 ' A' ' 22' ' ' LEU . 30.9 t -146.4 134.35 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -126.41 130.99 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 64' ' ' LEU . 8.5 tp -118.54 120.68 38.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 63.68 28.16 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.33 1.28 89.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -113.84 127.87 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.309 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -67.99 129.2 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.453 ' SD ' HD21 ' A' ' 22' ' ' LEU . 9.8 ptm -88.46 137.87 31.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -115.09 125.88 54.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.424 ' CG1' HG12 ' A' ' 55' ' ' ILE . 3.7 t -121.35 127.51 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -150.5 144.38 25.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -39.15 123.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.844 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.3 mt -110.06 135.64 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.13 128.75 40.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.0 mt -107.58 123.74 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.9 170.96 13.54 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 68' ' ' ILE . 2.6 t30 65.93 41.51 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -104.8 138.18 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.54 ' OG ' HG23 ' A' ' 14' ' ' VAL . 9.4 p -80.04 153.75 74.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.716 0.77 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -15.44 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.86 -18.81 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG23 ' OG ' ' A' ' 11' ' ' SER . 48.2 t -65.4 146.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.3 p -126.69 159.44 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.28 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -63.26 -41.13 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.17 -42.65 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.6 mt -59.95 -47.58 85.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.61 -39.12 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.69 -31.24 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.731 HD21 HG11 ' A' ' 62' ' ' VAL . 22.3 tp -70.13 -45.51 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 30' ' ' LEU . 11.2 m-85 -66.25 -37.82 86.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.36 -39.13 87.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.94 -23.87 66.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 1.3 mmp_? -91.26 19.57 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 58.85 26.7 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -126.3 76.12 72.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 152.2 69.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.391 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 23' ' ' PHE . 4.1 mt -103.92 131.65 50.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.3 26.2 9.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 44' ' ' ASP . . . -139.11 -139.59 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.507 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -112.17 155.48 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -122.12 136.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.09 136.09 49.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -117.49 114.73 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.4 mmmp? -110.3 157.6 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 p -67.0 93.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.72 -18.94 16.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.506 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.4 p90 -156.1 176.69 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.388 . . . . 0.0 110.94 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.92 151.39 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -117.0 128.9 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.63 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' C ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 t0 -86.87 125.27 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.6 p90 -102.25 143.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.31 164.3 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -60.43 -38.33 83.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -62.0 -44.92 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.25 -42.05 97.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.99 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -65.0 -44.94 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -69.38 -30.24 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.87 -43.43 62.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.0 mt -64.9 -48.13 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 96.0 m -76.81 -29.1 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 62' ' ' VAL . 68.7 mt -100.18 -73.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.9 p -51.04 128.92 22.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.44 -10.63 35.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 57' ' ' THR . 4.8 ttmm -121.73 -14.31 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG11 HD21 ' A' ' 22' ' ' LEU . 38.7 t -117.69 131.47 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HB2' HD13 ' A' ' 68' ' ' ILE . 29.5 tt0 -122.74 133.09 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 64' ' ' LEU . 7.0 tp -119.62 125.33 48.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 60.3 38.63 19.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.92 -4.41 30.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -108.63 129.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 63' ' ' GLU . 11.6 mm -68.03 128.95 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.486 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.4 ptm -83.72 136.65 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.58 126.38 54.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.79 126.38 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.13 157.21 40.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -44.15 153.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mt -117.35 142.26 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 1.8 t80 -94.03 130.68 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.805 HG12 HG13 ' A' ' 71' ' ' VAL . 10.4 mt -117.78 121.19 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.56 161.66 12.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 74.82 50.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.96 109.6 20.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 150.46 0.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.805 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.81 10.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.28 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.83 -19.43 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.7 t -58.7 136.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.7 p -125.93 161.83 26.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.24 -31.78 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.39 -42.25 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.408 ' OD1' HD11 ' A' ' 64' ' ' LEU . 4.3 t0 -68.5 -40.86 80.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.9 mt -61.64 -47.52 85.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 8.9 ptm180 -67.16 -38.24 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.0 tp-100 -70.09 -36.22 74.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.777 HD21 HG11 ' A' ' 62' ' ' VAL . 18.5 tp -68.44 -43.31 77.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 30' ' ' LEU . 5.0 m-85 -66.33 -42.61 87.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.8 -31.65 73.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.45 -34.2 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 7.5 mmp_? -87.48 16.82 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 61.32 40.85 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.99 80.93 70.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.71 10.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 23' ' ' PHE . 7.9 mt -74.1 104.55 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.06 39.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.04 -138.12 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.41 152.78 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.742 ' CG2' HD13 ' A' ' 30' ' ' LEU . 91.9 t -122.06 129.75 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.08 133.35 55.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 tp -118.94 114.92 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 1.4 mptp? -109.83 159.14 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -68.78 89.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 -13.74 16.16 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -157.03 176.28 12.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.04 150.76 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.8 m-85 -120.82 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.9 140.89 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -95.11 124.98 39.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 5.8 p90 -104.46 146.92 33.53 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.684 0.755 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.2 165.31 25.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -65.06 -34.03 77.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.72 -45.52 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -65.08 -42.18 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . . . -60.35 -50.17 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.35 -43.31 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -69.98 -30.62 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.44 -46.36 64.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.6 mt -64.11 -47.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.449 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 18.7 m -77.16 -23.85 51.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.074 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.726 HD23 HG21 ' A' ' 62' ' ' VAL . 61.9 mt -100.37 -71.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.4 t -55.13 114.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.97 -14.94 57.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -121.78 12.77 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.777 HG11 HD21 ' A' ' 22' ' ' LEU . 39.6 t -146.89 131.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.609 ' HB2' HD13 ' A' ' 68' ' ' ILE . 34.8 tt0 -122.68 133.67 54.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 64' ' ' LEU . 12.3 tp -124.53 127.23 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 60.11 37.04 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.2 -6.55 28.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 66.4 mttt -109.57 129.25 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.319 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 63' ' ' GLU . 14.2 mm -68.16 129.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.9 ptm -83.67 134.21 34.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -111.54 125.65 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.805 HG13 HG12 ' A' ' 7' ' ' ILE . 2.1 t -122.95 134.39 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.03 152.36 32.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -48.72 123.32 6.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.766 0.317 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -111.88 130.24 55.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.01 118.11 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.4 125.13 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.99 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.503 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.13 50.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.39 114.36 27.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 p -45.67 151.58 0.79 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.744 0.783 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.29 13.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.86 -14.53 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.702 HG22 HD23 ' A' ' 64' ' ' LEU . 75.5 t -52.76 144.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p -130.72 155.25 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.15 64.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -41.39 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -64.27 -42.56 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.4 mt -59.82 -47.39 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.33 -40.47 77.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -68.92 -32.2 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD21 HG11 ' A' ' 62' ' ' VAL . 21.1 tp -71.68 -49.7 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 9.6 m-85 -64.0 -42.86 97.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -39.16 96.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.88 -29.81 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -88.74 16.65 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 62.76 31.04 16.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.1 80.9 67.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 111.012 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.62 145.42 57.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.626 HD13 ' CG2' ' A' ' 34' ' ' VAL . 4.0 mt -95.59 101.47 13.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.46 42.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.19 -129.93 1.45 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -120.43 148.21 44.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.626 ' CG2' HD13 ' A' ' 30' ' ' LEU . 45.1 t -122.3 118.87 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.33 129.34 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 tp -112.46 115.13 28.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.3 mmmp? -109.8 158.91 17.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m -68.34 90.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.22 -14.5 18.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.5 p90 -155.73 176.17 12.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.67 148.24 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -116.34 146.14 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.51 140.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -91.32 122.26 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -94.62 144.37 27.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.95 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.14 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -139.74 165.14 28.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.11 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -62.18 -42.58 99.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -63.76 -42.32 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.8 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.4 mt -58.98 -44.39 90.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -70.06 -30.18 67.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -43.07 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.6 mt -65.02 -47.93 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.94 -41.36 99.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.5 m -76.61 -31.55 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.494 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 29.6 mt -97.63 -71.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.8 p -53.48 124.49 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.84 73.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.53 4.52 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.761 HG11 HD21 ' A' ' 22' ' ' LEU . 94.6 t -140.6 130.46 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HG3' ' C ' ' A' ' 67' ' ' LYS . 45.3 tt0 -122.37 130.01 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.702 HD23 HG22 ' A' ' 14' ' ' VAL . 11.1 tp -116.5 121.97 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 59.72 43.08 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.14 -1.57 17.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 18.4 mmtm -109.34 126.98 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.703 0.287 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mm -69.62 128.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.564 ' SD ' HD21 ' A' ' 22' ' ' LEU . 6.5 ptm -86.29 132.34 34.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -115.64 121.94 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.99 128.3 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -154.07 151.91 29.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -55.46 141.5 36.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.879 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.759 0.314 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.01 139.89 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.54 128.4 44.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -112.65 120.72 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.32 167.08 12.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 71.08 41.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.61 113.61 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.479 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.4 t -45.72 143.26 3.19 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 2.02 3.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.13 -21.02 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 15' ' ' THR . 94.7 t -62.58 159.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.536 ' N ' HG12 ' A' ' 14' ' ' VAL . 24.9 p -140.0 163.8 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -53.93 -36.31 62.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.93 -44.73 91.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 18.7 m-20 -66.88 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -62.71 -47.48 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -66.79 -39.89 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.88 -32.46 70.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.753 HD21 HG11 ' A' ' 62' ' ' VAL . 23.8 tp -66.53 -49.57 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 30' ' ' LEU . 10.6 m-85 -61.13 -46.97 88.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.36 -37.38 94.75 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.05 -29.01 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -92.06 19.83 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 59.3 36.23 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -132.45 80.86 61.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.46 57.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 23' ' ' PHE . 3.5 mt -90.69 120.16 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 46' ' ' PRO . . . -97.53 31.1 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.77 -150.49 5.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -99.71 154.77 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG2' HD13 ' A' ' 30' ' ' LEU . 91.8 t -122.12 128.89 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.35 131.95 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 16' ' ' ALA . 28.4 tp -119.06 114.8 23.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mptp? -110.02 159.25 17.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.6 m -69.17 88.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -13.22 13.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.2 p90 -156.63 177.4 11.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.27 151.81 19.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.5 m-85 -123.28 145.91 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 m -137.29 140.96 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -91.34 121.98 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -91.74 144.22 29.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.7 -44.72 1.95 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -143.31 162.7 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -62.76 -37.58 87.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.4 -40.53 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.0 t90 -65.1 -42.83 93.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.27 96.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -64.7 -44.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -44.94 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.99 -48.0 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.05 -38.06 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.4 -27.16 38.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.26 -74.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 71' ' ' VAL . 27.7 t -51.11 127.42 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.41 -13.37 22.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -123.41 15.84 9.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.753 HG11 HD21 ' A' ' 22' ' ' LEU . 54.4 t -146.72 128.2 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' HB2' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -115.76 130.47 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 14' ' ' VAL . 11.1 tp -119.62 119.54 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.1 m80 62.76 34.19 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.87 -7.71 53.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -107.65 130.88 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 63' ' ' GLU . 12.6 mm -68.0 128.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.428 ' SD ' HD21 ' A' ' 22' ' ' LEU . 8.6 ptm -84.5 133.39 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.25 127.46 55.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 59' ' ' SER . 3.2 t -118.96 127.39 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.7 m-20 -149.1 138.67 21.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ASP . 24.8 m-85 -35.67 139.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.785 0.326 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.603 HD22 HD11 ' A' ' 55' ' ' ILE . 9.6 mt -109.96 138.31 46.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.04 131.77 39.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.12 122.0 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.47 162.54 12.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 72.86 44.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -103.6 112.76 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.628 ' OG ' HG23 ' A' ' 14' ' ' VAL . 50.8 p -48.89 152.76 1.68 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 0.74 5.25 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 -23.85 13.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' OG ' ' A' ' 11' ' ' SER . 94.5 t -48.15 133.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.7 p -116.72 160.06 21.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.96 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -62.92 -40.03 96.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.6 mt -62.42 -47.51 83.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.43 -38.4 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -69.81 -32.58 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.595 HD21 HG11 ' A' ' 62' ' ' VAL . 15.0 tp -68.16 -49.6 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.0 m-85 -62.32 -41.81 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.02 93.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.52 -31.21 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' NH2' HG23 ' A' ' 57' ' ' THR . 10.7 mmm180 -89.51 20.0 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 62.42 30.55 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 84.3 mt -121.2 80.91 36.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 121.67 8.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.54 108.75 13.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.09 34.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.6 -166.75 12.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -84.23 153.67 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.3 t -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.401 HD23 ' HE2' ' A' ' 37' ' ' LYS . 4.4 mp -123.0 129.99 52.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.11 114.75 22.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 0.8 OUTLIER -109.64 159.81 16.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -67.87 92.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.89 -16.77 18.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 9.2 p90 -155.9 177.73 11.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.47 152.83 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 10.5 m-85 -121.95 144.49 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m -134.12 140.9 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.01 121.99 33.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -93.12 144.11 27.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.5 Cg_endo -69.75 -46.52 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -142.95 158.95 43.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -56.37 -40.94 75.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -42.92 99.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.455 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.0 t90 -63.23 -42.07 99.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -62.97 -45.21 93.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.56 -44.65 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . . . -71.01 -46.5 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.603 HD11 HD22 ' A' ' 5' ' ' LEU . 21.7 mt -63.87 -47.61 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -62.85 -43.02 99.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.47 HG23 ' NH2' ' A' ' 26' ' ' ARG . 55.5 m -74.59 -25.23 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 98.4 mt -97.42 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 24.6 t -55.25 117.69 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.37 -10.33 73.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -134.77 13.8 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.595 HG11 HD21 ' A' ' 22' ' ' LEU . 42.3 t -147.82 132.7 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 1.017 ' HB3' HD13 ' A' ' 68' ' ' ILE . 24.6 pm0 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.2 tp -128.82 133.38 47.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 62.71 31.15 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 3.33 85.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -114.67 128.04 56.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.017 HD13 ' HB3' ' A' ' 63' ' ' GLU . 10.9 mm -68.19 125.8 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 22' ' ' LEU . 7.6 ptm -88.1 135.76 33.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -114.66 128.09 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 55' ' ' ILE . 3.5 t -117.28 131.62 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -157.27 143.4 17.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.8 m-85 -35.69 126.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.856 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.4 mttp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.595 HD22 HD11 ' A' ' 55' ' ' ILE . 9.0 mt -114.61 142.25 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 3.3 t80 -96.54 132.03 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.54 122.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.56 171.05 13.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 66.31 48.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 40' ' ' TYR . 80.2 mt -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 14' ' ' VAL . 4.3 p -49.89 151.54 3.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.08 6.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.751 2.301 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.81 -12.53 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' OG ' ' A' ' 11' ' ' SER . 89.9 t -68.69 134.21 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -117.67 161.66 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.1 -38.13 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -61.66 -41.65 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.26 -44.09 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.2 mt -59.03 -47.5 84.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -65.88 -44.53 85.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.16 -34.47 78.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 69' ' ' MET . 28.9 tp -65.18 -46.77 79.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.2 m-85 -66.15 -41.65 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.42 82.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.15 -31.99 73.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -89.79 20.04 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm 60.75 29.52 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -122.56 81.24 47.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.4 42.37 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 34' ' ' VAL . 5.7 mt -87.41 113.14 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.52 32.36 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.33 -135.98 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -117.4 154.65 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.452 ' CG2' HD13 ' A' ' 30' ' ' LEU . 65.5 t -122.08 140.12 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.9 136.08 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.5 tp -114.11 114.49 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' CB ' ' CE2' ' A' ' 40' ' ' TYR . 51.4 mmtt -110.35 158.27 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -69.51 84.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.49 18.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.516 ' CE2' ' CB ' ' A' ' 37' ' ' LYS . 2.1 p90 -156.73 177.93 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.52 147.58 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.28 139.4 49.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.61 140.93 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -97.84 123.16 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.603 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 52.5 p90 -94.98 143.93 26.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.708 0.766 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.76 2.306 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -133.81 152.33 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -55.04 -38.52 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -62.45 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -63.8 -42.07 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -60.75 -49.4 77.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.24 -44.61 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -68.42 -34.44 76.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -46.23 54.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.721 HG23 ' HB ' ' A' ' 71' ' ' VAL . 31.4 mt -64.17 -47.99 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.95 -40.87 98.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -78.1 -21.99 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD23 HG21 ' A' ' 62' ' ' VAL . 78.6 mt -96.59 -74.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t -56.59 126.0 24.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 -17.58 52.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -129.47 12.91 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.563 HG21 HD23 ' A' ' 58' ' ' LEU . 91.7 t -147.96 132.98 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.875 ' HB3' HD13 ' A' ' 68' ' ' ILE . 25.2 pm0 -134.75 147.69 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.409 HD23 ' CG2' ' A' ' 14' ' ' VAL . 10.6 tp -122.89 134.3 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 61.73 30.85 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.1 88.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -118.32 131.56 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.875 HD13 ' HB3' ' A' ' 63' ' ' GLU . 10.2 mm -68.57 128.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.467 ' SD ' HD21 ' A' ' 22' ' ' LEU . 8.1 ptm -91.65 136.46 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -108.72 131.2 55.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.721 ' HB ' HG23 ' A' ' 55' ' ' ILE . 12.2 t -124.36 131.03 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.3 m-20 -154.72 136.87 14.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' ASP . 3.4 m-85 -36.59 139.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.873 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.2 p -114.18 100.8 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.841 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.2 m -154.52 166.08 34.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -173.88 136.83 3.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 80.2 p -87.71 115.77 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.6 p -38.59 150.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -169.14 -115.65 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.405 ' SD ' ' C ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -57.9 147.77 27.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -131.04 178.49 6.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -146.23 166.47 26.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.09 136.79 48.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.1 128.41 40.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.88 121.43 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.04 167.45 12.32 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.52 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 70.83 41.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.958 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.3 112.6 25.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -50.85 151.46 4.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.0 6.29 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -13.03 16.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.22 135.49 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -121.65 162.36 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.84 62.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -42.92 92.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -67.35 -39.76 85.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.03 -47.43 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 31.8 ptt180 -66.69 -38.28 86.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 tt0 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.822 HD21 HG11 ' A' ' 62' ' ' VAL . 14.6 tp -67.06 -48.67 67.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CD2' HD21 ' A' ' 30' ' ' LEU . 9.4 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.51 -38.54 90.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -31.24 69.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD2' HG22 ' A' ' 57' ' ' THR . 5.0 mmt180 -89.85 19.4 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 60.82 32.43 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -127.36 80.14 72.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.11 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.401 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.768 HD13 ' CG2' ' A' ' 34' ' ' VAL . 5.3 mt -99.41 109.88 22.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.68 30.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.57 -132.57 2.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -119.82 153.99 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.768 ' CG2' HD13 ' A' ' 30' ' ' LEU . 42.3 t -122.02 139.19 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -128.72 133.81 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.1 114.95 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -109.98 158.43 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.5 t -67.6 92.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.69 -16.77 18.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.36 177.95 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.22 155.81 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.22 145.68 48.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.68 141.02 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.38 122.16 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 9.4 p90 -95.05 144.25 27.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.8 Cg_endo -69.83 -48.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.09 166.59 24.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.08 -39.65 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.478 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.7 t90 -65.06 -42.06 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.98 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.58 -44.96 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -69.97 -41.36 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.0 92.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.3 mt -61.57 -47.77 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -35.1 78.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.402 HG22 ' HD2' ' A' ' 26' ' ' ARG . 78.8 m -80.69 -25.29 38.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HA ' HG23 ' A' ' 62' ' ' VAL . 71.5 mt -100.35 -71.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.0 t -54.7 122.44 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.67 -2.9 71.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -131.41 11.75 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.822 HG11 HD21 ' A' ' 22' ' ' LEU . 84.6 t -146.52 131.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 68' ' ' ILE . 16.1 tt0 -119.57 132.52 55.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 64' ' ' LEU . 10.9 tp -124.1 125.59 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.0 m80 62.17 29.23 17.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.52 3.86 90.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.541 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -119.19 131.0 55.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 63' ' ' GLU . 29.4 mm -68.04 127.07 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.599 ' SD ' HD21 ' A' ' 22' ' ' LEU . 9.8 ptm -83.18 137.53 34.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -112.33 129.48 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 t -123.96 130.75 73.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -154.98 155.3 33.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -53.74 122.72 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -68.62 86.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.71 144.5 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.0 t -122.08 -60.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.0 tptp 39.76 43.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -120.8 109.71 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.8 tp -154.66 128.65 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -66.14 137.1 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 p -113.98 125.95 54.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -119.79 81.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.82 141.51 3.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -172.08 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.28 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.4 p -141.26 152.9 44.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.5 t -113.51 175.99 5.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 52.2 m -82.06 165.96 20.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.375 . . . . 0.0 110.808 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 11.1 t -174.11 150.15 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 157.59 -128.42 2.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.438 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 60.4 p -121.06 -179.96 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 43.9 p -99.39 148.13 24.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.13 -166.94 14.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.1 tpt -111.18 124.44 52.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -116.62 -177.87 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 74' ' ' SER . 42.1 mttm -146.32 167.04 24.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD22 HD11 ' A' ' 55' ' ' ILE . 12.5 mt -109.99 129.5 55.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -94.1 130.74 40.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -112.36 122.05 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.6 168.03 12.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.556 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.02 40.5 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -96.7 111.01 23.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.634 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.1 t -39.91 143.61 0.58 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.819 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.89 3.09 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.64 -18.65 13.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.634 HG23 ' HB3' ' A' ' 11' ' ' SER . 43.2 t -56.04 160.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.527 ' N ' HG12 ' A' ' 14' ' ' VAL . 26.4 p -144.47 160.07 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.1 -34.18 55.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -43.17 98.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.02 -37.67 81.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.1 mt -63.84 -47.49 80.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.73 -41.01 92.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.43 -37.2 77.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.891 HD21 HG11 ' A' ' 62' ' ' VAL . 47.4 tp -62.98 -48.59 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.671 ' CZ ' ' CD1' ' A' ' 58' ' ' LEU . 8.1 m-85 -62.89 -46.72 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -38.58 94.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.87 -24.81 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -95.55 18.86 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 57.34 35.31 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 mt -131.57 80.52 66.58 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.97 66.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mt -102.03 111.77 24.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.28 27.71 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.34 -153.9 6.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 3.0 tp-100 -96.33 152.51 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.467 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 60.8 t -117.82 136.57 54.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.4 tt -129.05 129.6 45.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -118.87 114.9 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 11.7 mmmt -110.05 158.96 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -67.91 92.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.51 14.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.542 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 p90 -157.04 176.85 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.27 152.54 31.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -124.08 139.14 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -134.81 141.02 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -89.81 121.91 32.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -91.55 144.65 29.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.76 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.1 163.05 30.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -62.9 -38.2 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.472 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 13.8 t-20 -66.09 -45.65 80.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.535 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 40.8 t90 -58.64 -42.07 87.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.44 79.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.1 mt -62.23 -44.8 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -68.81 -38.19 79.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.38 -46.76 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.725 HG23 ' HB ' ' A' ' 71' ' ' VAL . 48.1 mt -62.71 -47.66 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.72 -40.15 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 m -76.96 -24.23 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.671 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 mt -97.18 -73.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' ' 71' ' ' VAL . 38.2 t -57.95 123.2 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.65 -16.88 55.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -128.27 20.72 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.891 HG11 HD21 ' A' ' 22' ' ' LEU . 55.3 t -147.91 127.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.06 136.4 52.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.6 tp -125.87 121.08 32.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.6 m80 63.64 25.24 14.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.85 -13.38 64.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -104.38 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' ' 63' ' ' GLU . 11.9 mm -68.01 130.03 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.499 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 6.1 ptm -83.65 138.01 33.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -115.2 123.1 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.725 ' HB ' HG23 ' A' ' 55' ' ' ILE . 13.2 t -115.07 133.68 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -149.28 148.74 29.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -47.08 139.89 5.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 6.1 t -89.27 87.6 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -145.16 164.45 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 62.1 m -125.41 42.7 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -103.25 152.29 21.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -169.02 154.62 6.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -136.96 149.4 47.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -109.57 154.81 22.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.1 t -89.56 135.45 33.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.8 p -123.9 -43.13 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -120.4 82.42 0.34 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 104.64 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.0 p -166.69 165.83 16.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 m -44.81 -50.44 10.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 33.8 m -94.53 94.13 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.2 t -125.99 150.17 48.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 65.15 -129.39 34.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 61.6 m -47.06 124.24 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.5 p -174.96 172.37 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 132.24 166.37 11.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -43.64 150.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.72 -175.2 2.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -138.93 166.54 24.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.17 135.27 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -93.95 128.75 40.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.21 121.39 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.19 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.57 166.12 12.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 t30 71.49 41.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.03 127.99 47.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -62.9 147.86 93.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.3 15.87 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.27 -21.66 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.12 142.81 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -124.03 164.71 18.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.88 -41.33 74.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.97 -40.52 85.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -66.49 -42.02 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.7 mt -61.31 -47.62 85.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -61.98 -43.29 99.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.63 -34.72 76.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.28 -49.59 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.497 ' CD2' HD21 ' A' ' 30' ' ' LEU . 10.0 m-85 -64.62 -45.02 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.88 -37.71 94.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.73 -24.14 67.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HD2' HG22 ' A' ' 57' ' ' THR . 12.7 mmt-85 -95.12 19.13 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 61.11 37.58 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.9 mt -133.45 81.06 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 125.49 12.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 23' ' ' PHE . 14.3 mt -76.46 98.65 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.41 34.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.35 -140.84 3.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -112.17 151.83 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.0 t -122.01 137.75 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -129.01 124.12 34.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.96 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 14.3 mmmt -110.1 159.26 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -67.95 92.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.68 -14.87 26.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.0 p90 -155.48 178.04 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -159.23 143.93 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.24 141.37 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.4 140.95 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -92.03 121.98 34.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.55 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 33.0 p90 -92.04 143.07 27.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.713 0.768 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.1 Cg_endo -69.67 -50.23 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -137.1 161.91 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.79 -38.63 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.98 -44.17 93.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 31.7 t90 -64.93 -42.04 95.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.62 -44.38 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -69.34 -33.47 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.92 -46.6 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 59' ' ' SER . 23.1 mt -64.51 -47.74 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.01 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.412 HG22 ' HD2' ' A' ' 26' ' ' ARG . 17.5 m -79.93 -24.4 41.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.615 HD23 HG21 ' A' ' 62' ' ' VAL . 58.4 mt -99.69 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.0 t -56.19 116.08 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.64 -6.68 72.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 10.31 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.615 HG21 HD23 ' A' ' 58' ' ' LEU . 29.2 t -146.9 129.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -119.74 130.79 55.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 64' ' ' LEU . 11.5 tp -119.72 124.12 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 62.34 31.68 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.77 86.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -117.46 130.66 56.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -69.03 128.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.491 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.1 ptm -86.46 136.61 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -114.6 122.56 46.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG12 HG12 ' A' ' 55' ' ' ILE . 11.3 t -119.95 128.1 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.48 146.1 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -38.69 153.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 p -95.58 60.47 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -119.11 128.33 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.4 m -99.53 -45.56 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -168.79 107.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -73.13 148.67 43.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.983 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.9 tp -115.98 98.7 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -152.0 149.15 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.6 p -142.68 151.05 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -114.88 149.52 37.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.72 81.34 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 107.23 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.727 2.285 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.8 p -117.33 122.56 44.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 m -144.12 134.84 25.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 36.7 m -107.23 -59.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.36 . . . . 0.0 110.801 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 50.9 m -71.75 144.47 49.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -115.73 115.79 3.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 18.8 m -55.55 -50.1 70.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.2 p -145.52 148.97 33.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 97.71 132.08 7.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.87 135.18 21.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.486 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 t-20 -99.14 174.98 6.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -147.21 166.27 27.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 mt -112.97 137.69 50.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -98.45 118.92 36.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.82 123.89 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.91 163.86 12.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 70.38 42.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -104.99 104.83 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -41.85 151.19 0.33 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.749 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.14 6.03 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -101.1 -16.2 17.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.28 140.96 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.2 p -124.31 155.75 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.43 67.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.5 -40.12 90.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.17 -38.6 82.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -63.57 -47.61 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 4.2 ptp180 -64.5 -42.77 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.0 -35.26 78.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.65 HD21 HG11 ' A' ' 62' ' ' VAL . 28.6 tp -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -65.03 -46.6 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -35.23 91.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -60.95 -35.44 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.325 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -90.05 19.83 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.07 40.54 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.75 78.64 48.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 110.64 2.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.297 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 34' ' ' VAL . 10.7 mt -60.18 102.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.49 37.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.79 -159.44 9.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 29.3 tp60 -92.99 152.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 30' ' ' LEU . 95.4 t -122.26 137.06 57.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.2 tt -129.02 133.59 47.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 tp -118.65 114.72 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.2 mmtp -110.22 158.4 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -67.78 92.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.79 14.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.2 p90 -156.53 173.67 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.84 149.53 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -119.65 119.28 33.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.98 140.92 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -91.52 126.17 36.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 3' ' ' ASN . 21.3 p90 -99.22 144.2 27.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.79 -50.04 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.68 2.254 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.44 155.6 46.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.18 -38.13 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -62.05 -42.35 99.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.8 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.469 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 45.6 t90 -65.03 -44.77 88.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.62 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.6 -44.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -68.76 -39.93 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.59 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' SER . 19.9 mt -64.71 -47.46 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.98 -39.08 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.0 m -79.76 -23.02 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 62' ' ' VAL . 38.4 mt -102.27 -74.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.1 t -52.36 117.69 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.81 45.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -121.18 18.6 11.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.65 HG11 HD21 ' A' ' 22' ' ' LEU . 39.1 t -147.66 128.8 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -110.56 143.66 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 64' ' ' LEU . 10.0 tp -136.39 119.11 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 20.1 m-70 63.76 25.05 14.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.11 78.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -109.52 133.17 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.02 129.71 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.484 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.2 ptm -83.56 137.2 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -116.19 126.08 53.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' CG1' HG12 ' A' ' 55' ' ' ILE . 6.1 t -117.67 129.97 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -40.71 152.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p -82.21 -14.01 56.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.06 -17.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.5 m -65.21 112.35 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -129.89 160.79 32.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -61.45 143.61 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -42.12 114.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -125.79 143.34 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t -172.33 171.54 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -157.29 107.35 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.65 165.44 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.69 16.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.29 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.2 m -127.29 167.6 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -104.42 100.4 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.4 t -125.71 -61.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 22.8 t -57.25 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -79.78 -85.34 0.61 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.2 m -131.16 126.15 34.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 57.5 p -131.5 175.08 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -119.63 -72.31 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.3 ptm -165.16 130.13 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -101.76 167.07 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -146.25 165.47 29.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.94 137.12 48.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 128.92 40.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -113.15 120.67 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.37 169.1 12.89 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.74 34.78 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -95.88 133.65 39.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.496 ' HB3' HG23 ' A' ' 14' ' ' VAL . 12.6 t -65.66 142.34 98.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.67 0.748 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.29 5.91 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.35 -12.4 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 11' ' ' SER . 92.3 t -74.73 140.78 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.1 p -118.45 166.86 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -53.88 -31.12 48.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.049 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -66.73 -39.98 88.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.77 -41.48 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -62.76 -47.63 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.51 -39.96 94.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.16 -32.87 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.739 HD21 HG11 ' A' ' 62' ' ' VAL . 37.9 tp -67.03 -48.92 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CD2' HD21 ' A' ' 30' ' ' LEU . 16.0 m-85 -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.49 -35.93 82.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.37 -33.25 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.759 0.314 . . . . 0.0 110.794 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -86.9 14.06 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? 62.61 39.12 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 10.2 mt -128.05 79.88 73.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 23' ' ' PHE . 7.5 mt -58.23 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.46 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.04 -147.11 4.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 7.2 tp60 -100.57 151.56 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 20.8 t -122.21 137.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -129.05 127.09 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 16' ' ' ALA . 36.8 tp -119.06 114.54 22.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.7 mmmt -110.47 160.6 16.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.2 m -68.36 91.36 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.09 -16.64 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.5 p90 -156.56 176.47 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.04 148.96 15.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -119.31 146.11 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.7 140.88 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.39 122.31 33.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -92.45 143.95 28.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.738 0.78 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.85 -38.22 7.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -150.74 166.34 30.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -64.11 -39.68 94.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -62.72 -45.79 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.482 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.3 t90 -60.5 -43.33 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.32 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.1 mt -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -69.68 -42.0 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.4 mt -64.08 -47.95 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.03 -36.05 82.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -80.94 -23.23 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 62' ' ' VAL . 77.6 mt -101.61 -67.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ILE . 11.2 t -54.96 117.49 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.11 -10.08 50.33 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -120.98 8.76 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.739 HG11 HD21 ' A' ' 22' ' ' LEU . 22.6 t -147.58 128.73 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.542 ' HB2' HD13 ' A' ' 68' ' ' ILE . 29.7 tt0 -117.49 129.99 56.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 14' ' ' VAL . 9.1 tp -117.42 125.52 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.0 m80 60.01 37.17 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.31 -4.3 42.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.538 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -109.97 131.39 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.687 0.28 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.542 HD13 ' HB2' ' A' ' 63' ' ' GLU . 17.9 mm -68.61 129.9 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.3 ptm -83.11 136.76 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -114.13 123.12 48.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' A' ' 55' ' ' ILE . 5.6 t -117.9 126.4 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -152.53 139.18 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -37.68 148.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 p -101.39 36.26 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -127.17 151.8 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.0 t -127.95 110.19 12.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -72.11 77.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -100.8 142.38 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.5 tp -86.63 111.16 20.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.6 mmt-85 -93.68 -51.04 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -99.93 128.09 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.8 p -126.13 96.11 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.94 83.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -40.88 4.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -112.06 170.11 8.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.7 p -120.71 -43.51 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.4 t -112.15 -45.29 3.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.6 t -77.08 165.26 24.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 163.79 -160.01 32.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.9 t -139.78 152.76 46.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.8 t -111.82 -30.71 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 92.39 146.23 18.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.8 mmt 61.8 36.23 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -52.19 107.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -141.86 166.7 23.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mt -110.85 143.0 42.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -95.22 126.95 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mt -111.14 120.96 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.79 168.54 12.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.9 35.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -97.89 119.02 35.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.43 149.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.611 0.72 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.43 14.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.52 -19.04 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 144.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 p -124.62 161.02 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.51 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -58.97 -42.22 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.93 -38.21 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.8 mt -63.66 -47.5 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.08 -44.64 91.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -66.12 -33.01 74.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.736 HD21 HG11 ' A' ' 62' ' ' VAL . 21.9 tp -64.16 -49.49 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.514 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 10.5 m-85 -63.79 -43.02 97.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.79 -33.95 76.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -63.91 -24.64 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 2.5 mmp_? -96.64 19.37 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.41 37.23 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 54' ' ' ALA . 6.9 mt -134.85 80.62 48.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.643 0.735 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 132.88 24.25 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.514 HD23 ' CH2' ' A' ' 50' ' ' TRP . 12.1 mt -75.36 114.33 13.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.74 34.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.93 -150.7 5.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.28 154.8 18.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.431 ' CG2' HD13 ' A' ' 30' ' ' LEU . 47.2 t -122.05 136.77 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -128.58 124.51 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -110.91 114.83 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 19.3 mmmt -110.1 159.37 17.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -68.28 91.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.85 21.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 37' ' ' LYS . 7.9 p90 -156.14 178.05 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.74 150.33 17.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -118.2 143.97 46.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 m -135.84 140.95 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.41 123.88 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 51.8 p90 -101.0 144.62 28.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.904 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -145.18 165.34 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.7 -33.79 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.83 -46.11 89.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' CH2' HD23 ' A' ' 30' ' ' LEU . 33.1 t90 -65.87 -44.94 83.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -64.12 -50.9 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.3 mt -59.24 -43.09 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -70.0 -38.03 75.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 28' ' ' LEU . . . -66.88 -46.35 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 30.2 mt -64.78 -47.67 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.0 -36.9 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 75.5 m -80.49 -29.77 37.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 62' ' ' VAL . 45.9 mt -95.19 -67.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.6 t -56.75 113.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 1.46 89.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -133.87 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.736 HG11 HD21 ' A' ' 22' ' ' LEU . 25.2 t -147.49 130.72 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -120.4 130.79 54.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 64' ' ' LEU . 11.0 tp -120.21 127.19 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 59.96 26.29 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.96 -9.6 71.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -104.35 131.06 52.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.18 129.9 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.3 ptm -84.25 135.59 34.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -112.82 127.35 56.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 55' ' ' ILE . 2.4 t -120.65 131.13 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -152.21 145.32 24.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.6 139.8 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -101.95 44.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.2 m -100.66 149.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 m -141.11 127.12 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -111.55 47.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -50.39 123.7 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.4 mt -148.69 160.42 43.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -108.77 -52.12 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 t -120.49 152.84 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 m -151.03 146.73 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.87 139.88 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -10.52 28.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -116.27 138.81 51.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.9 t -111.01 104.04 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 92.8 p -170.04 109.66 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.7 t -156.8 106.68 2.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 52.4 49.69 50.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.0 p -159.78 144.21 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.3 m -119.18 92.22 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -97.83 -162.17 31.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.9 ttp -81.57 103.55 11.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 44.9 m-80 -116.89 109.2 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -147.35 166.92 25.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.14 137.76 53.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -93.98 129.67 40.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -109.5 127.78 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.38 166.89 12.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 66.64 50.88 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.3 110.38 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -46.27 150.95 1.02 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.11 20.22 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -95.17 -15.97 22.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.481 ' CG2' HD23 ' A' ' 64' ' ' LEU . 88.2 t -56.72 145.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -127.07 155.27 43.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.79 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.06 -40.1 87.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.2 mt -63.43 -47.4 82.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 15.7 ptm180 -67.12 -43.45 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.2 mm100 -66.92 -39.72 87.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.689 HD11 HG21 ' A' ' 62' ' ' VAL . 15.8 tp -60.26 -48.17 82.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 8.9 m-85 -62.26 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.42 -35.73 92.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.83 -37.2 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.03 19.25 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp 60.78 28.85 18.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -113.21 77.82 3.02 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.692 0.758 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.48 2.56 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.742 2.295 . . . . 0.0 112.381 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.529 HD23 ' CH2' ' A' ' 50' ' ' TRP . 11.0 mt -66.69 107.71 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.83 -152.25 5.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 34' ' ' VAL . 1.9 tm0? -103.03 157.04 17.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.553 ' O ' ' NE2' ' A' ' 33' ' ' GLN . 40.2 t -122.1 135.73 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -124.42 128.06 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -112.72 114.4 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.499 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 13.6 mmtp -110.58 159.09 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 t -67.24 96.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.14 -19.04 23.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CD1' ' HB2' ' A' ' 37' ' ' LYS . 18.2 p90 -157.01 175.01 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.09 144.53 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -109.51 146.08 35.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.62 140.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.87 121.94 33.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 3' ' ' ASN . 15.2 p90 -102.23 145.35 30.35 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -142.91 163.52 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -58.35 -36.4 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -61.94 -44.38 96.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.529 ' CH2' HD23 ' A' ' 30' ' ' LEU . 41.3 t90 -62.19 -43.58 98.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -50.72 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.3 mt -61.35 -45.04 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -68.26 -34.24 75.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.02 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.8 mt -64.24 -48.05 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.08 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.8 -25.91 37.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.567 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 68.9 mt -104.27 -72.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.5 t -51.7 124.1 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.98 4.98 88.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -129.3 -30.27 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.689 HG21 HD11 ' A' ' 22' ' ' LEU . 13.5 p -118.42 143.74 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.925 ' HB3' HD13 ' A' ' 68' ' ' ILE . 23.6 pm0 -132.15 145.02 51.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.481 HD23 ' CG2' ' A' ' 14' ' ' VAL . 6.8 tp -115.46 128.45 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.3 m-70 63.86 26.67 14.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.3 81.82 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.433 ' C ' ' HB2' ' A' ' 63' ' ' GLU . 41.2 mttm -105.13 130.42 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.925 HD13 ' HB3' ' A' ' 63' ' ' GLU . 8.0 mm -68.01 130.05 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.548 ' SD ' HG13 ' A' ' 62' ' ' VAL . 9.1 ptm -90.86 136.02 33.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.86 126.61 55.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 55' ' ' ILE . 61.6 t -111.76 126.39 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.9 t70 -153.66 144.1 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.6 m-85 -34.49 144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 t -69.87 -46.38 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.28 141.1 3.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.192 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.1 t -99.98 -56.92 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -51.29 176.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -104.31 -51.03 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.06 143.89 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -66.05 89.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.7 p -88.92 126.83 35.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 t -71.88 -48.67 44.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 167.48 156.19 9.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.3 2.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 t 61.6 42.27 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.8 p -44.91 127.63 6.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 40.4 t -40.9 129.02 2.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 110.826 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 55.0 m -125.66 -44.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 160.05 -97.39 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 43.6 t -47.57 147.32 1.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.341 . . . . 0.0 110.894 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.5 t -59.18 -51.27 70.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 88.75 135.04 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.4 ttm -45.04 117.58 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -117.16 108.83 16.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -145.45 163.2 35.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.1 mt -110.73 141.31 44.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 2.8 t80 -98.32 129.14 45.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -110.88 123.02 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.53 161.26 12.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 73.08 46.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -106.84 113.61 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -44.83 147.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.741 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -1.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.55 -18.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.6 t -57.39 140.63 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 p -119.48 158.36 26.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.8 -33.53 64.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -40.39 92.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.793 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -41.56 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -60.34 -47.52 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -65.49 -41.81 92.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -34.69 77.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' SD ' ' A' ' 69' ' ' MET . 31.4 tp -64.18 -48.93 74.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.615 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.4 m-85 -60.96 -44.84 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.18 91.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -32.99 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 19.9 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? 63.2 25.83 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.94 78.71 7.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.715 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 113.53 3.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 23' ' ' PHE . 4.9 mt -65.12 119.82 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.62 19.41 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.21 -144.38 4.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.55 163.26 14.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.16 144.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.06 135.88 49.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -113.59 114.36 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 19.9 mmmt -110.46 158.35 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -69.16 86.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.6 -11.02 18.89 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 2.7 p90 -157.07 177.99 10.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.908 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.51 144.85 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -109.5 146.07 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.21 140.83 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -92.24 124.32 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 3' ' ' ASN . 31.0 p90 -102.66 146.71 32.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -142.89 163.85 31.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -62.03 -45.66 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 t90 -61.21 -42.07 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.69 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -60.52 -42.52 91.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.77 -39.96 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.23 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' SER . 31.1 mt -61.84 -47.7 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.69 -38.31 89.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -79.26 -23.53 43.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 72.9 mt -101.16 -72.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.0 t -55.02 117.42 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.36 -10.79 62.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 5.85 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.595 HG21 HD23 ' A' ' 58' ' ' LEU . 54.9 t -148.02 133.67 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.702 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.0 pm0 -132.18 148.0 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 tp -127.89 137.16 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 32.3 m80 59.83 31.62 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.52 10.77 84.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -122.27 132.3 54.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 63' ' ' GLU . 15.3 mm -67.94 127.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.58 ' SD ' HD21 ' A' ' 22' ' ' LEU . 7.4 ptm -87.35 131.94 34.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -108.97 123.01 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.76 128.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -150.82 154.02 36.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.28 163.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.6 t -111.89 94.72 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 76' ' ' SER . 27.2 m -117.1 33.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' VAL . 10.4 t -34.55 -53.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.09 91.28 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -90.51 60.4 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 tt -96.14 92.55 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -130.1 76.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 82' ' ' SER . 36.5 t -124.32 151.95 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 81' ' ' SER . 22.7 t -35.48 -43.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 164.17 167.41 24.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 -43.19 2.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m 57.7 42.15 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.9 t -119.21 -44.39 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.534 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 74.7 m -122.24 103.39 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.3 m -54.51 108.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 102.29 131.47 7.36 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 71.0 m -94.97 106.67 18.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.6 t -111.11 111.18 22.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 136.59 126.65 2.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.8 mmt 58.92 38.81 24.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.878 0.371 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -54.54 107.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -146.44 166.96 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.428 HD22 HD11 ' A' ' 55' ' ' ILE . 9.9 mt -113.3 142.99 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.49 127.04 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.48 HG12 HG13 ' A' ' 71' ' ' VAL . 26.2 mt -111.18 122.1 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.194 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.87 168.22 12.51 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 70.83 41.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 mt -96.96 128.18 43.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -66.08 150.32 96.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.2 -14.66 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.575 ' CG2' HD23 ' A' ' 64' ' ' LEU . 86.2 t -67.86 137.73 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 p -122.12 163.24 19.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.6 -39.82 65.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.7 -40.38 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.74 -41.53 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -59.08 -47.49 85.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 12.2 ptm180 -66.0 -42.35 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.4 mm-40 -63.8 -33.29 75.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD21 ' SD ' ' A' ' 69' ' ' MET . 55.1 tp -68.22 -49.53 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.443 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.7 m-85 -64.1 -45.08 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.05 -34.41 88.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.416 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.23 -31.3 72.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.78 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.73 19.89 3.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER 62.42 26.66 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.59 80.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.9 31.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 34' ' ' VAL . 8.7 mt -85.92 105.65 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 35.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.28 -146.04 4.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -106.22 154.3 20.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' CG2' HD13 ' A' ' 30' ' ' LEU . 51.1 t -122.02 135.74 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.72 127.46 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.83 114.89 27.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 38.2 mmtt -110.12 158.29 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -67.03 94.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.58 -18.84 22.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 15.9 p90 -155.93 177.92 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.98 153.18 27.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -120.13 138.26 53.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.57 140.99 46.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -94.55 122.37 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 3' ' ' ASN . 13.1 p90 -95.52 146.84 32.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.726 0.774 . . . . 0.0 110.87 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.82 -47.92 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.742 2.295 . . . . 0.0 112.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -140.05 169.08 18.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HG2' HD11 ' A' ' 52' ' ' ILE . 44.4 tt0 -67.12 -38.42 85.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -62.5 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.408 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 33.2 t90 -65.4 -42.24 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.11 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.403 HD11 ' HG2' ' A' ' 48' ' ' GLN . 58.8 mt -58.74 -44.98 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -70.0 -38.67 76.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.87 77.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.454 HG23 ' HB ' ' A' ' 71' ' ' VAL . 64.8 mt -64.37 -47.81 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.78 -37.19 85.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 m -80.99 -27.89 35.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.655 HD23 HG21 ' A' ' 62' ' ' VAL . 72.3 mt -90.78 -71.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -57.06 122.75 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.4 -7.65 63.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -129.98 4.52 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.655 HG21 HD23 ' A' ' 58' ' ' LEU . 54.7 t -145.03 135.06 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' CB ' HD13 ' A' ' 68' ' ' ILE . 1.9 pt-20 -131.39 140.04 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.575 HD23 ' CG2' ' A' ' 14' ' ' VAL . 9.4 tp -119.72 132.7 55.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 25.1 m80 61.45 44.12 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.98 11.25 43.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -122.61 135.71 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.708 0.289 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.478 HD13 ' CB ' ' A' ' 63' ' ' GLU . 20.1 mm -71.59 128.34 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.436 ' SD ' HD21 ' A' ' 22' ' ' LEU . 5.6 ptm -89.88 136.36 33.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -113.15 127.86 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.48 HG13 HG12 ' A' ' 7' ' ' ILE . 4.7 t -121.51 134.48 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -150.93 144.99 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -45.11 147.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 m -96.18 56.22 1.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.2 m -124.79 -14.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 m -63.66 -43.19 97.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt 62.51 37.58 13.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -54.71 -48.78 72.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tp -57.42 108.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.43 125.98 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -90.67 136.33 33.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.9 t -117.61 176.84 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -136.89 146.18 18.09 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.421 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 117.86 5.34 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -116.75 102.46 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -153.49 133.25 13.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 28.5 t -87.52 114.66 24.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 30.0 p -167.53 150.75 6.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -172.74 -154.56 10.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 82.5 p -110.36 162.42 14.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.0 m -140.64 140.79 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 133.06 -146.12 18.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.7 mtm -112.05 146.05 38.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -145.04 175.44 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -145.81 166.67 25.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.98 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -110.16 133.9 52.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.7 OUTLIER -94.07 130.42 40.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -111.24 122.17 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.26 162.86 12.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 72.3 40.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.842 0.354 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 10' ' ' LEU . 23.6 mt -93.89 121.12 35.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.53 ' HB2' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -51.81 149.78 8.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.15 -16.95 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 11' ' ' SER . 95.5 t -57.46 130.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.2 p -117.44 158.32 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.7 64.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.07 -42.58 98.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.63 -39.33 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.3 mt -60.14 -47.5 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -62.69 -44.3 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -66.33 -39.06 88.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' CE ' ' A' ' 69' ' ' MET . 21.1 tp -61.81 -47.2 86.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' CD2' HD21 ' A' ' 30' ' ' LEU . 6.0 m-85 -63.58 -44.31 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.32 -35.22 91.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.87 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -90.2 18.07 6.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 42.18 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 54' ' ' ALA . 13.3 mt -132.69 80.85 60.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 129.0 16.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.592 HD13 ' CG2' ' A' ' 34' ' ' VAL . 12.7 mt -77.45 101.42 6.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.96 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 46' ' ' PRO . . . -83.0 38.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.4 -143.48 3.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -108.5 154.21 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' A' ' 30' ' ' LEU . 31.7 t -122.04 135.45 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.95 128.14 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -112.76 114.83 27.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 21.7 mmtm -110.2 158.81 17.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -67.31 94.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.26 -18.29 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.8 p90 -156.61 176.57 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.3 148.3 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -114.24 145.27 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.0 m -140.93 141.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -93.27 124.98 37.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -96.17 144.12 27.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.69 -47.02 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -139.7 165.66 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.54 -39.99 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -62.59 -45.41 93.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.535 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.9 t90 -61.84 -41.98 98.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.26 93.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.3 -45.06 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -69.94 -38.5 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -65.81 -45.83 80.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' SER . 38.6 mt -62.84 -47.62 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.73 -37.93 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.9 m -80.05 -26.38 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 62' ' ' VAL . 78.5 mt -96.71 -69.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.4 t -57.48 112.96 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.62 -0.71 85.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -132.41 5.94 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 75.5 t -147.02 133.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.8 148.84 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 tp -130.05 133.52 46.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.9 m80 61.04 25.25 15.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.22 2.47 89.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -110.86 136.36 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.45 125.59 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.49 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 7.2 ptm -88.3 134.23 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -113.64 136.65 52.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.4 131.28 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -155.2 153.6 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -46.76 126.94 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.6 p -65.26 81.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -136.56 167.5 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.8 m -122.68 86.63 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -69.01 -51.56 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HG3' HD12 ' A' ' 79' ' ' LEU . 6.7 tptm -54.46 160.58 1.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.484 HD12 ' HG3' ' A' ' 78' ' ' LYS . 6.6 mp 49.78 53.68 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -55.92 140.77 41.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.5 t -72.57 95.22 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 m -142.34 137.37 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 171.17 77.39 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -177.89 2.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.7 p -93.9 116.56 29.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.7 m -148.07 114.3 5.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.544 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 60.2 p 38.36 41.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 6.6 t -104.71 146.29 29.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' -1' ' ' SER . . . -77.95 72.64 2.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 0' ' ' SER . 1.9 m -37.8 125.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 0' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' -1' ' ' SER . 25.7 m -36.16 142.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.06 166.96 21.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.11 170.98 5.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.717 0.294 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -112.59 113.84 26.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -136.63 167.04 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -113.22 145.1 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 1.1 t80 -94.88 129.58 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.41 120.21 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.84 167.82 12.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.22 35.58 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.931 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -96.17 121.12 37.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.567 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -50.43 143.66 13.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.11 -14.49 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 11' ' ' SER . 76.6 t -56.6 151.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.6 p -129.08 155.0 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.98 -36.52 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.85 -41.05 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.69 -41.01 88.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -59.04 -47.55 84.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -63.93 -44.79 91.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -40.17 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.63 HD11 HG21 ' A' ' 62' ' ' VAL . 26.6 tp -60.94 -48.85 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 12.0 m-85 -64.48 -38.27 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.48 -40.81 67.69 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.88 -23.55 66.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 mmt-85 -92.47 18.78 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm 60.55 36.09 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 23.5 mt -131.99 81.14 63.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.8 18.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.746 2.297 . . . . 0.0 112.303 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 23' ' ' PHE . 8.2 mt -85.13 104.36 14.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.58 36.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -153.69 6.21 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 4.1 tp-100 -96.76 152.09 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 88.3 t -122.24 134.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 2.9 mp -128.82 131.41 47.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -116.74 114.72 24.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 23.3 mmtp -110.26 158.93 17.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 m -67.42 94.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.788 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 -17.41 25.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 20.1 p90 -156.38 178.03 10.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.904 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 35' ' ' LEU . . . -156.22 155.94 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -121.61 135.61 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.1 m -130.26 140.95 47.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -93.52 122.01 35.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -95.65 144.33 27.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.738 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -46.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.475 ' OD2' ' ND2' ' A' ' 49' ' ' ASN . 3.3 t70 -143.71 162.19 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.7 -38.41 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.475 ' ND2' ' OD2' ' A' ' 47' ' ' ASP . 24.0 m-80 -62.19 -41.5 98.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.76 -41.95 91.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.1 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -70.06 -29.33 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.02 -45.88 55.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.574 HG23 ' HB3' ' A' ' 59' ' ' SER . 24.1 mt -62.73 -47.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.4 m -75.9 -27.1 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 91.2 mt -103.84 -75.05 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.574 ' HB3' HG23 ' A' ' 55' ' ' ILE . 39.0 t -55.71 124.6 17.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.25 -3.75 70.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -124.3 -16.22 6.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 22' ' ' LEU . 4.4 p -136.08 143.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.899 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -128.98 146.79 50.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -121.5 133.76 55.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.1 m80 63.92 25.03 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.33 -2.3 87.48 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.436 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' C ' ' HB2' ' A' ' 63' ' ' GLU . 25.6 mtpp -112.94 134.76 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.899 HD13 ' HB3' ' A' ' 63' ' ' GLU . 15.6 mm -68.79 130.02 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 4.1 ptm -84.51 138.29 32.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -117.17 123.69 47.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.56 130.22 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.5 t70 -155.6 140.07 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 91.0 m-85 -36.2 132.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p -85.04 48.11 1.51 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.0 m -109.7 127.21 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -164.4 154.02 13.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -102.52 135.46 44.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -111.66 -51.45 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.9 tp -124.62 148.39 47.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -80.23 122.44 26.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -45.84 120.86 2.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -134.47 125.14 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.6 83.64 0.22 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 158.66 56.18 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.9 p -117.82 -49.88 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.0 p -66.1 -58.53 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 58.0 m -64.89 164.27 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 90.9 p -118.04 139.19 51.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 164.6 102.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.0 m -106.03 42.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.828 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 97.4 p 41.28 40.3 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -138.82 -123.12 2.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -166.15 132.89 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -105.62 -178.2 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -134.84 163.96 28.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.15 138.98 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -94.47 122.99 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -102.98 122.03 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.41 168.86 12.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 68.22 46.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -108.25 109.74 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -47.77 154.92 0.87 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -2.95 11.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.43 ' HB3' ' NE2' ' A' ' 65' ' ' HIS . . . -100.66 -13.62 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG13 HD21 ' A' ' 64' ' ' LEU . 57.7 t -58.47 144.3 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 p -128.64 155.52 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -55.33 -40.19 70.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.71 -40.67 88.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.799 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.3 mt -62.95 -47.44 83.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -62.5 -45.05 94.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.96 -31.67 71.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.827 HD11 ' CG2' ' A' ' 62' ' ' VAL . 16.3 tp -64.26 -48.86 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CD2' HD21 ' A' ' 30' ' ' LEU . 11.4 m-85 -64.96 -40.73 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.36 -35.76 91.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 19.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 59.75 39.25 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -121.47 80.15 38.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 110.05 2.47 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.328 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD21 ' CD2' ' A' ' 23' ' ' PHE . 13.4 mt -66.47 100.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.63 37.29 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -154.78 6.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 25.5 tp60 -97.83 152.3 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 46.2 t -122.14 136.42 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -128.95 130.69 47.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 16' ' ' ALA . 53.6 tp -110.54 114.88 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 31.5 mmtm -110.22 158.03 18.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 t -68.0 90.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.69 -15.03 22.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.1 p90 -156.35 178.13 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.11 151.16 27.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.1 128.5 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.24 140.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.85 123.16 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -98.87 145.27 29.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.984 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.46 3.4 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.1 160.0 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.84 -36.69 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -62.09 -45.96 91.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -60.85 -42.44 97.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.77 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -60.84 -45.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 -69.44 -35.04 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.75 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' SER . 22.6 mt -62.99 -47.91 90.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.94 -39.17 93.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.4 m -80.24 -22.02 42.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.526 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 66.6 mt -102.43 -70.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.5 t -51.0 122.01 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' HA2' HG21 ' A' ' 68' ' ' ILE . . . 78.91 -14.03 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -107.11 -10.63 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.827 ' CG2' HD11 ' A' ' 22' ' ' LEU . 9.2 p -129.92 128.4 64.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -111.53 129.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.474 HD21 HG13 ' A' ' 14' ' ' VAL . 12.9 tp -118.85 119.69 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.43 ' NE2' ' HB3' ' A' ' 13' ' ' ALA . 13.5 m80 64.0 36.29 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.44 -1.83 59.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -116.55 128.88 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.476 HG21 ' HA2' ' A' ' 60' ' ' GLY . 15.7 mm -67.82 130.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.529 ' SD ' HG11 ' A' ' 62' ' ' VAL . 10.3 ptm -87.98 138.25 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -113.43 123.44 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.43 126.05 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -154.44 141.46 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.6 m-85 -35.42 148.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -100.31 42.37 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.74 163.72 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.8 p -143.53 175.66 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -166.89 128.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -141.0 140.64 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 mt -149.49 166.42 29.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.9 ptt-85 -149.74 139.3 21.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.2 p -173.54 137.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 t -133.71 131.75 39.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.12 156.87 28.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -49.94 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.283 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.2 t -88.79 132.91 34.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.822 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -98.8 -45.57 5.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.528 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 74.0 m -50.05 125.92 13.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.392 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.1 t -72.45 144.82 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -64.95 -163.95 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 86.8 p -157.5 115.63 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 93.3 p -79.02 160.12 27.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 158.48 -146.96 14.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.3 mtt -77.0 102.26 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.796 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -152.47 171.49 18.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -142.73 166.08 25.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.0 137.89 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 124.86 38.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.454 HG23 HG22 ' A' ' 71' ' ' VAL . 5.2 mt -109.73 120.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.01 168.53 12.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.72 43.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -104.08 118.44 36.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -48.45 143.65 7.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.44 -15.75 14.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG21 HD23 ' A' ' 64' ' ' LEU . 54.3 t -67.65 146.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -126.47 174.14 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.07 75.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.6 -41.8 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -68.43 -42.89 78.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.2 mt -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 11.8 ptm180 -66.15 -41.04 90.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.6 tt0 -68.09 -35.44 78.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.718 HD21 HG11 ' A' ' 62' ' ' VAL . 29.1 tp -63.89 -49.87 70.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 10.8 m-85 -63.96 -40.27 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.74 93.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -59.24 -33.42 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.02 19.02 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt 59.47 42.44 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 16.9 mt -124.59 76.51 63.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 109.33 2.27 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.724 2.282 . . . . 0.0 112.391 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.598 HD13 ' CG2' ' A' ' 34' ' ' VAL . 6.7 mt -57.4 100.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.21 41.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.54 -130.84 1.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -119.0 151.43 38.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.598 ' CG2' HD13 ' A' ' 30' ' ' LEU . 46.5 t -122.06 135.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.03 132.38 47.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -117.82 114.96 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 24.5 mmtp -110.1 158.95 17.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -68.31 90.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 -14.88 17.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.0 p90 -155.83 177.34 11.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.82 151.47 23.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.34 137.82 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.48 140.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -91.72 121.98 33.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -92.09 143.66 27.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.72 0.771 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.75 -49.95 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.414 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -139.64 167.5 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -62.83 -38.71 91.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -64.26 -42.79 96.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.549 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 36.8 t90 -62.88 -42.78 99.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.69 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.53 -44.05 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -69.67 -38.08 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -47.01 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' SER . 28.8 mt -62.4 -48.12 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.56 -40.46 94.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 m -79.23 -22.56 44.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.623 HD23 HG21 ' A' ' 62' ' ' VAL . 87.4 mt -99.86 -70.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.0 t -56.49 115.74 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.67 -4.47 78.77 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -126.53 8.8 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.718 HG11 HD21 ' A' ' 22' ' ' LEU . 87.4 t -147.36 130.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.06 146.84 34.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 14' ' ' VAL . 10.0 tp -137.2 119.94 16.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 36.0 m80 62.54 25.91 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.64 -13.07 65.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -104.61 131.71 51.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.01 129.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ptm -83.01 132.73 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -113.74 125.73 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 55' ' ' ILE . 21.3 t -118.6 127.46 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' TYR . 1.1 m-20 -150.3 136.82 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' ASP . 34.2 m-85 -34.54 136.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.2 t -94.96 41.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.04 39.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.9 t -44.26 -58.57 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.88 113.62 25.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -123.43 87.68 2.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 80' ' ' ARG . 6.7 tp -167.53 147.39 5.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.415 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 7.1 tmm_? -149.22 126.69 11.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.0 p -165.33 122.14 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.0 t -56.31 146.55 23.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.44 144.98 0.19 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.76 31.52 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t 50.71 35.54 12.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -130.36 127.8 40.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.482 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 62.9 m -91.56 130.52 37.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.9 m -84.89 87.62 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 132.22 71.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 79.9 p -130.83 106.16 8.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.823 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 93.9 p -170.88 167.33 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 128.46 -88.69 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.06 45.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -98.97 -179.14 4.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -146.78 166.34 26.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.584 HD22 HD11 ' A' ' 55' ' ' ILE . 10.8 mt -110.01 131.74 54.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.04 127.46 39.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.8 mt -109.17 122.0 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.52 162.97 12.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 45.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.59 116.29 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.566 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.4 t -46.47 143.27 4.02 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.721 0.772 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 0.29 5.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.87 -18.09 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 11' ' ' SER . 71.3 t -60.32 158.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.511 ' N ' HG12 ' A' ' 14' ' ' VAL . 75.8 p -140.68 161.41 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.33 -31.4 33.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.33 -42.19 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.08 -38.91 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.2 mt -62.78 -47.55 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -63.94 -44.08 93.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -68.29 -31.17 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.697 HD21 HG11 ' A' ' 62' ' ' VAL . 28.3 tp -64.46 -49.97 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 9.8 m-85 -66.41 -42.33 87.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.01 -36.54 93.61 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.43 -34.03 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -85.41 19.29 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 59.62 38.12 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.19 80.66 68.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.551 0.691 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.52 13.42 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.87 110.77 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.32 29.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.19 -142.18 3.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -109.34 157.59 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -122.04 135.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.67 128.88 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 17.1 tp -119.14 114.4 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD2' ' C ' ' A' ' 36' ' ' LEU . 2.8 mptt -106.92 162.36 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 p -69.21 89.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.18 -14.11 13.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.435 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.7 p90 -156.87 178.04 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.915 0.388 . . . . 0.0 110.982 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.25 146.81 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -116.72 146.07 43.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.12 140.89 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -89.65 128.02 36.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 29.3 p90 -99.19 144.08 27.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.97 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.6 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.17 174.58 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.09 -40.55 74.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.2 -45.45 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 28.8 t90 -63.07 -42.06 99.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -62.73 -50.94 69.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.5 -44.96 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -68.56 -37.39 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.08 77.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.584 HD11 HD22 ' A' ' 5' ' ' LEU . 37.4 mt -63.09 -48.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.33 -36.5 78.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.5 m -80.04 -27.0 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.643 HD23 HG21 ' A' ' 62' ' ' VAL . 44.0 mt -97.49 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.3 t -53.65 108.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.13 -18.32 57.05 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -118.7 17.52 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.697 HG11 HD21 ' A' ' 22' ' ' LEU . 30.9 t -146.4 134.35 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -126.41 130.99 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 64' ' ' LEU . 8.5 tp -118.54 120.68 38.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 63.68 28.16 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.33 1.28 89.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -113.84 127.87 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.309 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -67.99 129.2 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.453 ' SD ' HD21 ' A' ' 22' ' ' LEU . 9.8 ptm -88.46 137.87 31.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -115.09 125.88 54.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.424 ' CG1' HG12 ' A' ' 55' ' ' ILE . 3.7 t -121.35 127.51 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -150.5 144.38 25.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -39.15 123.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.9 p -73.39 84.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -121.24 147.69 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 t -116.67 -50.62 2.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -171.83 132.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -97.92 85.07 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.63 158.23 43.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -163.19 113.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -121.66 153.6 37.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -116.18 130.87 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.32 -173.04 21.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 178.9 4.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.236 . . . . 0.0 112.396 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.8 p -121.53 146.89 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t -92.78 -47.16 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.483 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 90.5 p -96.76 127.66 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.2 m -92.16 150.96 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 52.36 57.34 13.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 94.7 p -46.17 141.92 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.3 m -92.24 165.77 12.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 146.75 -152.54 24.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -140.59 143.79 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -135.45 -178.47 5.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -142.85 165.53 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.3 mt -110.06 135.64 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.13 128.75 40.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.0 mt -107.58 123.74 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.9 170.96 13.54 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 68' ' ' ILE . 2.6 t30 65.93 41.51 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -104.8 138.18 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.54 ' OG ' HG23 ' A' ' 14' ' ' VAL . 9.4 p -80.04 153.75 74.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.716 0.77 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -15.44 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.86 -18.81 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG23 ' OG ' ' A' ' 11' ' ' SER . 48.2 t -65.4 146.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.3 p -126.69 159.44 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.28 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -63.26 -41.13 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.17 -42.65 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.6 mt -59.95 -47.58 85.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.61 -39.12 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.69 -31.24 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.731 HD21 HG11 ' A' ' 62' ' ' VAL . 22.3 tp -70.13 -45.51 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 30' ' ' LEU . 11.2 m-85 -66.25 -37.82 86.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.36 -39.13 87.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.94 -23.87 66.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 1.3 mmp_? -91.26 19.57 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 58.85 26.7 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -126.3 76.12 72.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 152.2 69.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.391 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 23' ' ' PHE . 4.1 mt -103.92 131.65 50.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.3 26.2 9.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 44' ' ' ASP . . . -139.11 -139.59 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.507 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -112.17 155.48 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -122.12 136.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.09 136.09 49.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -117.49 114.73 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.4 mmmp? -110.3 157.6 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 p -67.0 93.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.72 -18.94 16.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.506 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.4 p90 -156.1 176.69 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.388 . . . . 0.0 110.94 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.92 151.39 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -117.0 128.9 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.63 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' C ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 t0 -86.87 125.27 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.6 p90 -102.25 143.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.31 164.3 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -60.43 -38.33 83.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -62.0 -44.92 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.25 -42.05 97.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.99 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -65.0 -44.94 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -69.38 -30.24 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.87 -43.43 62.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.0 mt -64.9 -48.13 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 96.0 m -76.81 -29.1 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 62' ' ' VAL . 68.7 mt -100.18 -73.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.9 p -51.04 128.92 22.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.44 -10.63 35.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 57' ' ' THR . 4.8 ttmm -121.73 -14.31 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG11 HD21 ' A' ' 22' ' ' LEU . 38.7 t -117.69 131.47 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HB2' HD13 ' A' ' 68' ' ' ILE . 29.5 tt0 -122.74 133.09 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 64' ' ' LEU . 7.0 tp -119.62 125.33 48.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 60.3 38.63 19.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.92 -4.41 30.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -108.63 129.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 63' ' ' GLU . 11.6 mm -68.03 128.95 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.486 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.4 ptm -83.72 136.65 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.58 126.38 54.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.79 126.38 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.13 157.21 40.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -44.15 153.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p -94.42 53.48 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.5 m -120.15 127.31 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.8 m -133.27 107.89 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -171.5 119.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -79.68 103.21 9.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.39 87.57 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.14 152.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -112.75 42.3 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.782 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 m -155.49 144.63 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 162.97 -173.25 39.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 172.92 11.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.259 . . . . 0.0 112.236 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 t -124.77 97.59 5.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -86.21 -44.27 12.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.3 m -122.21 87.32 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 32.9 t -84.52 99.65 10.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -154.45 -80.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.8 t 53.9 38.85 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 9.9 m -108.2 -45.23 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 90.64 -98.8 2.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 ttt -74.5 158.09 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.72 0.295 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 10.7 m-80 -95.99 120.41 36.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -147.8 166.73 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mt -117.35 142.26 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 1.8 t80 -94.03 130.68 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.805 HG12 HG13 ' A' ' 71' ' ' VAL . 10.4 mt -117.78 121.19 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.56 161.66 12.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 74.82 50.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.96 109.6 20.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 150.46 0.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.805 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.81 10.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.28 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.83 -19.43 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.7 t -58.7 136.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.7 p -125.93 161.83 26.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.24 -31.78 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.39 -42.25 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.408 ' OD1' HD11 ' A' ' 64' ' ' LEU . 4.3 t0 -68.5 -40.86 80.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.9 mt -61.64 -47.52 85.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 8.9 ptm180 -67.16 -38.24 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.0 tp-100 -70.09 -36.22 74.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.777 HD21 HG11 ' A' ' 62' ' ' VAL . 18.5 tp -68.44 -43.31 77.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 30' ' ' LEU . 5.0 m-85 -66.33 -42.61 87.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.8 -31.65 73.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.45 -34.2 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 7.5 mmp_? -87.48 16.82 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 61.32 40.85 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.99 80.93 70.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.71 10.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 23' ' ' PHE . 7.9 mt -74.1 104.55 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.06 39.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.04 -138.12 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.41 152.78 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.742 ' CG2' HD13 ' A' ' 30' ' ' LEU . 91.9 t -122.06 129.75 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.08 133.35 55.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 tp -118.94 114.92 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 1.4 mptp? -109.83 159.14 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -68.78 89.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 -13.74 16.16 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -157.03 176.28 12.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.04 150.76 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.8 m-85 -120.82 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.9 140.89 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -95.11 124.98 39.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 3' ' ' ASN . 5.8 p90 -104.46 146.92 33.53 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.684 0.755 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.2 165.31 25.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -65.06 -34.03 77.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.72 -45.52 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -65.08 -42.18 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . . . -60.35 -50.17 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.35 -43.31 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -69.98 -30.62 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.44 -46.36 64.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.6 mt -64.11 -47.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.449 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 18.7 m -77.16 -23.85 51.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.074 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.726 HD23 HG21 ' A' ' 62' ' ' VAL . 61.9 mt -100.37 -71.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.4 t -55.13 114.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.97 -14.94 57.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -121.78 12.77 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.777 HG11 HD21 ' A' ' 22' ' ' LEU . 39.6 t -146.89 131.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.609 ' HB2' HD13 ' A' ' 68' ' ' ILE . 34.8 tt0 -122.68 133.67 54.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 64' ' ' LEU . 12.3 tp -124.53 127.23 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 60.11 37.04 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.2 -6.55 28.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 66.4 mttt -109.57 129.25 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.319 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 63' ' ' GLU . 14.2 mm -68.16 129.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.9 ptm -83.67 134.21 34.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -111.54 125.65 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.805 HG13 HG12 ' A' ' 7' ' ' ILE . 2.1 t -122.95 134.39 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.03 152.36 32.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.5 ' HB3' HG22 ' A' ' 75' ' ' VAL . 25.3 m-85 -48.72 123.32 6.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.9 p -53.09 -25.24 12.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 73' ' ' TYR . 26.9 m -57.2 119.87 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.8 m -143.55 173.84 11.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 2.7 mppt? -133.32 105.38 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' H ' ' CD ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -71.55 -20.57 62.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.6 mt -148.23 129.24 14.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' SER . 20.7 ptt180 -127.93 175.08 8.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ARG . 9.2 t -36.54 100.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t -116.53 117.95 31.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.2 83.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -34.94 13.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 t 50.49 47.91 23.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.2 t -71.73 -58.77 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.503 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 79.1 p -69.57 -52.7 23.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.792 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 1.3 t 50.12 42.72 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -123.75 41.91 1.67 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.567 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.8 t -52.6 -51.16 61.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.795 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.4 p -72.4 -43.66 63.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 123.21 -140.73 13.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.0 mmt -129.9 127.9 41.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -73.45 172.89 10.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -141.01 166.04 25.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -111.88 130.24 55.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.01 118.11 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.4 125.13 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.99 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.503 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.13 50.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.39 114.36 27.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 p -45.67 151.58 0.79 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.744 0.783 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.29 13.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.86 -14.53 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.702 HG22 HD23 ' A' ' 64' ' ' LEU . 75.5 t -52.76 144.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p -130.72 155.25 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.15 64.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -41.39 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -64.27 -42.56 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.4 mt -59.82 -47.39 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.33 -40.47 77.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -68.92 -32.2 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD21 HG11 ' A' ' 62' ' ' VAL . 21.1 tp -71.68 -49.7 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 9.6 m-85 -64.0 -42.86 97.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -39.16 96.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.88 -29.81 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -88.74 16.65 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 62.76 31.04 16.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.1 80.9 67.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 111.012 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.62 145.42 57.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.626 HD13 ' CG2' ' A' ' 34' ' ' VAL . 4.0 mt -95.59 101.47 13.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.46 42.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.19 -129.93 1.45 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -120.43 148.21 44.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.626 ' CG2' HD13 ' A' ' 30' ' ' LEU . 45.1 t -122.3 118.87 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.33 129.34 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 tp -112.46 115.13 28.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.3 mmmp? -109.8 158.91 17.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m -68.34 90.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.22 -14.5 18.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.5 p90 -155.73 176.17 12.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.67 148.24 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -116.34 146.14 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.51 140.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -91.32 122.26 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -94.62 144.37 27.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.95 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.14 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -139.74 165.14 28.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.11 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -62.18 -42.58 99.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -63.76 -42.32 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.8 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.4 mt -58.98 -44.39 90.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -70.06 -30.18 67.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -43.07 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.6 mt -65.02 -47.93 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.94 -41.36 99.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.5 m -76.61 -31.55 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 29.6 mt -97.63 -71.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.8 p -53.48 124.49 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.84 73.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.53 4.52 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.761 HG11 HD21 ' A' ' 22' ' ' LEU . 94.6 t -140.6 130.46 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HG3' ' C ' ' A' ' 67' ' ' LYS . 45.3 tt0 -122.37 130.01 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.702 HD23 HG22 ' A' ' 14' ' ' VAL . 11.1 tp -116.5 121.97 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 59.72 43.08 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.14 -1.57 17.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 18.4 mmtm -109.34 126.98 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.703 0.287 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mm -69.62 128.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.564 ' SD ' HD21 ' A' ' 22' ' ' LEU . 6.5 ptm -86.29 132.34 34.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -115.64 121.94 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.99 128.3 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -154.07 151.91 29.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -55.46 141.5 36.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 75' ' ' VAL . 86.6 p -83.05 -45.33 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 74' ' ' SER . 33.2 m 33.82 46.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.0 p -84.4 47.17 1.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -114.76 41.34 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -80.2 -50.25 10.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 79' ' ' LEU . 2.2 pt? -88.41 154.27 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -159.8 178.18 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.9 t -75.45 147.25 40.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -163.74 153.4 14.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.29 81.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 127.34 14.42 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.301 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 m -96.88 99.11 10.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -160.4 123.96 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 40.9 m -104.75 112.6 25.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 40.1 t -96.62 -47.68 5.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -107.97 -164.77 21.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.563 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.1 p -60.79 97.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 63.4 m -154.3 116.28 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 167.21 148.06 5.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -68.57 104.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -102.38 111.73 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -139.65 166.34 24.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.01 139.89 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.54 128.4 44.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -112.65 120.72 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.32 167.08 12.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 71.08 41.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.61 113.61 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.479 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.4 t -45.72 143.26 3.19 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 2.02 3.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.13 -21.02 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 15' ' ' THR . 94.7 t -62.58 159.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.536 ' N ' HG12 ' A' ' 14' ' ' VAL . 24.9 p -140.0 163.8 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -53.93 -36.31 62.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.93 -44.73 91.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 18.7 m-20 -66.88 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -62.71 -47.48 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -66.79 -39.89 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.88 -32.46 70.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD21 HG11 ' A' ' 62' ' ' VAL . 23.8 tp -66.53 -49.57 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 30' ' ' LEU . 10.6 m-85 -61.13 -46.97 88.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.36 -37.38 94.75 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.05 -29.01 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -92.06 19.83 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 59.3 36.23 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -132.45 80.86 61.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.46 57.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 23' ' ' PHE . 3.5 mt -90.69 120.16 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 46' ' ' PRO . . . -97.53 31.1 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.77 -150.49 5.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -99.71 154.77 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG2' HD13 ' A' ' 30' ' ' LEU . 91.8 t -122.12 128.89 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.35 131.95 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 16' ' ' ALA . 28.4 tp -119.06 114.8 23.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mptp? -110.02 159.25 17.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.6 m -69.17 88.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -13.22 13.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.2 p90 -156.63 177.4 11.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.27 151.81 19.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.5 m-85 -123.28 145.91 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 m -137.29 140.96 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -91.34 121.98 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -91.74 144.22 29.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.7 -44.72 1.95 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -143.31 162.7 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -62.76 -37.58 87.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.4 -40.53 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.0 t90 -65.1 -42.83 93.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.27 96.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -64.7 -44.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -44.94 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.99 -48.0 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.05 -38.06 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.4 -27.16 38.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.26 -74.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 71' ' ' VAL . 27.7 t -51.11 127.42 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.41 -13.37 22.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -123.41 15.84 9.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.753 HG11 HD21 ' A' ' 22' ' ' LEU . 54.4 t -146.72 128.2 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' HB2' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -115.76 130.47 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 14' ' ' VAL . 11.1 tp -119.62 119.54 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.1 m80 62.76 34.19 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.87 -7.71 53.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -107.65 130.88 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 63' ' ' GLU . 12.6 mm -68.0 128.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.428 ' SD ' HD21 ' A' ' 22' ' ' LEU . 8.6 ptm -84.5 133.39 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.25 127.46 55.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 59' ' ' SER . 3.2 t -118.96 127.39 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.7 m-20 -149.1 138.67 21.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ASP . 24.8 m-85 -35.67 139.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 t -87.11 85.99 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.68 136.69 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -91.72 -49.8 6.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -150.92 138.29 19.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -73.59 94.69 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -129.29 142.01 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -97.12 136.0 38.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -100.37 95.7 6.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.8 p -161.27 120.75 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 173.71 155.86 12.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 118.43 5.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.7 p -50.44 108.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.4 p -55.3 106.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 32.8 t -58.34 123.67 16.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 29.2 m -128.42 96.13 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 176.19 90.3 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.2 p -100.35 111.09 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.9 t -57.63 93.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -156.92 132.27 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.3 mtp -114.12 129.87 56.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -143.31 178.67 7.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -123.18 164.98 17.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.603 HD22 HD11 ' A' ' 55' ' ' ILE . 9.6 mt -109.96 138.31 46.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.04 131.77 39.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.12 122.0 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.47 162.54 12.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 72.86 44.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -103.6 112.76 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.628 ' OG ' HG23 ' A' ' 14' ' ' VAL . 50.8 p -48.89 152.76 1.68 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 0.74 5.25 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 -23.85 13.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' OG ' ' A' ' 11' ' ' SER . 94.5 t -48.15 133.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.7 p -116.72 160.06 21.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.96 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -62.92 -40.03 96.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.6 mt -62.42 -47.51 83.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.43 -38.4 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -69.81 -32.58 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.595 HD21 HG11 ' A' ' 62' ' ' VAL . 15.0 tp -68.16 -49.6 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.0 m-85 -62.32 -41.81 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.02 93.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.52 -31.21 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' NH2' HG23 ' A' ' 57' ' ' THR . 10.7 mmm180 -89.51 20.0 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 62.42 30.55 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 84.3 mt -121.2 80.91 36.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 121.67 8.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.54 108.75 13.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.09 34.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.6 -166.75 12.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -84.23 153.67 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.3 t -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.401 HD23 ' HE2' ' A' ' 37' ' ' LYS . 4.4 mp -123.0 129.99 52.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.11 114.75 22.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 0.8 OUTLIER -109.64 159.81 16.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -67.87 92.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.89 -16.77 18.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 9.2 p90 -155.9 177.73 11.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.47 152.83 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 10.5 m-85 -121.95 144.49 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m -134.12 140.9 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.01 121.99 33.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -93.12 144.11 27.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.5 Cg_endo -69.75 -46.52 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -142.95 158.95 43.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -56.37 -40.94 75.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -42.92 99.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.455 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.0 t90 -63.23 -42.07 99.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -62.97 -45.21 93.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.56 -44.65 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . . . -71.01 -46.5 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.603 HD11 HD22 ' A' ' 5' ' ' LEU . 21.7 mt -63.87 -47.61 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -62.85 -43.02 99.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.47 HG23 ' NH2' ' A' ' 26' ' ' ARG . 55.5 m -74.59 -25.23 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 98.4 mt -97.42 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 24.6 t -55.25 117.69 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.37 -10.33 73.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -134.77 13.8 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.595 HG11 HD21 ' A' ' 22' ' ' LEU . 42.3 t -147.82 132.7 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 1.017 ' HB3' HD13 ' A' ' 68' ' ' ILE . 24.6 pm0 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.2 tp -128.82 133.38 47.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 62.71 31.15 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 3.33 85.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -114.67 128.04 56.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.017 HD13 ' HB3' ' A' ' 63' ' ' GLU . 10.9 mm -68.19 125.8 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 22' ' ' LEU . 7.6 ptm -88.1 135.76 33.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -114.66 128.09 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 55' ' ' ILE . 3.5 t -117.28 131.62 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -157.27 143.4 17.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.8 m-85 -35.69 126.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.9 p -77.4 89.51 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.54 156.31 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.4 t -125.42 -70.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 78' ' ' LYS . 6.3 tptm -173.96 106.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' LYS . 10.5 ptpp? -36.34 137.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 tp -54.02 142.65 24.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -144.59 141.74 29.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.9 p -150.75 135.47 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.7 m -101.52 -71.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 131.05 83.49 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 119.84 6.71 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.1 t -137.71 117.37 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.3 t -146.57 127.22 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.421 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 53.6 m -52.2 151.67 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 93.3 p -40.88 -47.49 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -99.46 -123.94 5.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.551 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.6 t -111.08 159.92 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 60.6 p -93.38 128.87 39.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' MET . . . -75.9 -167.95 24.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -37.43 128.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.822 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 1.6 p30 -82.22 121.22 26.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -147.86 166.72 26.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.595 HD22 HD11 ' A' ' 55' ' ' ILE . 9.0 mt -114.61 142.25 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 3.3 t80 -96.54 132.03 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.54 122.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.56 171.05 13.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 66.31 48.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 40' ' ' TYR . 80.2 mt -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 14' ' ' VAL . 4.3 p -49.89 151.54 3.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.08 6.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.751 2.301 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.81 -12.53 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' OG ' ' A' ' 11' ' ' SER . 89.9 t -68.69 134.21 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -117.67 161.66 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.1 -38.13 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -61.66 -41.65 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.26 -44.09 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.2 mt -59.03 -47.5 84.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -65.88 -44.53 85.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.16 -34.47 78.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 69' ' ' MET . 28.9 tp -65.18 -46.77 79.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.2 m-85 -66.15 -41.65 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.42 82.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.15 -31.99 73.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -89.79 20.04 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm 60.75 29.52 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -122.56 81.24 47.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.4 42.37 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 34' ' ' VAL . 5.7 mt -87.41 113.14 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.52 32.36 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.33 -135.98 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -117.4 154.65 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.452 ' CG2' HD13 ' A' ' 30' ' ' LEU . 65.5 t -122.08 140.12 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.9 136.08 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.5 tp -114.11 114.49 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' CB ' ' CE2' ' A' ' 40' ' ' TYR . 51.4 mmtt -110.35 158.27 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -69.51 84.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.49 18.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.516 ' CE2' ' CB ' ' A' ' 37' ' ' LYS . 2.1 p90 -156.73 177.93 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.52 147.58 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.28 139.4 49.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.61 140.93 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -97.84 123.16 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.603 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 52.5 p90 -94.98 143.93 26.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.708 0.766 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.76 2.306 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -133.81 152.33 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -55.04 -38.52 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -62.45 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -63.8 -42.07 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -60.75 -49.4 77.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.24 -44.61 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -68.42 -34.44 76.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -46.23 54.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.721 HG23 ' HB ' ' A' ' 71' ' ' VAL . 31.4 mt -64.17 -47.99 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.95 -40.87 98.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -78.1 -21.99 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD23 HG21 ' A' ' 62' ' ' VAL . 78.6 mt -96.59 -74.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t -56.59 126.0 24.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 -17.58 52.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -129.47 12.91 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.563 HG21 HD23 ' A' ' 58' ' ' LEU . 91.7 t -147.96 132.98 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.875 ' HB3' HD13 ' A' ' 68' ' ' ILE . 25.2 pm0 -134.75 147.69 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD23 ' CG2' ' A' ' 14' ' ' VAL . 10.6 tp -122.89 134.3 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 61.73 30.85 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.1 88.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -118.32 131.56 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.875 HD13 ' HB3' ' A' ' 63' ' ' GLU . 10.2 mm -68.57 128.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.467 ' SD ' HD21 ' A' ' 22' ' ' LEU . 8.1 ptm -91.65 136.46 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -108.72 131.2 55.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.721 ' HB ' HG23 ' A' ' 55' ' ' ILE . 12.2 t -124.36 131.03 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.3 m-20 -154.72 136.87 14.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' ASP . 3.4 m-85 -36.59 139.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -93.27 58.86 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 m -98.97 -3.05 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.7 m -81.21 147.17 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -172.24 138.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 160.85 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 tp -126.8 139.8 52.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -157.4 154.94 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.9 p 51.44 42.94 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 87.1 p -83.74 96.15 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.84 68.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 114.79 3.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -104.16 129.45 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 56.2 p -170.59 137.55 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.831 0.348 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.09 136.79 48.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.1 128.41 40.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.88 121.43 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.04 167.45 12.32 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.52 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 67' ' ' LYS . 4.4 t30 70.83 41.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.958 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.3 112.6 25.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -50.85 151.46 4.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.0 6.29 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -103.81 -13.03 16.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.22 135.49 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -121.65 162.36 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.84 62.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -42.92 92.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -67.35 -39.76 85.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.03 -47.43 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 31.8 ptt180 -66.69 -38.28 86.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 tt0 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.822 HD21 HG11 ' A' ' 62' ' ' VAL . 14.6 tp -67.06 -48.67 67.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CD2' HD21 ' A' ' 30' ' ' LEU . 9.4 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.51 -38.54 90.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -31.24 69.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD2' HG22 ' A' ' 57' ' ' THR . 5.0 mmt180 -89.85 19.4 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 60.82 32.43 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -127.36 80.14 72.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.11 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.401 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.768 HD13 ' CG2' ' A' ' 34' ' ' VAL . 5.3 mt -99.41 109.88 22.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.68 30.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.57 -132.57 2.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -119.82 153.99 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.768 ' CG2' HD13 ' A' ' 30' ' ' LEU . 42.3 t -122.02 139.19 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -128.72 133.81 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.1 114.95 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -109.98 158.43 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.5 t -67.6 92.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.69 -16.77 18.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.36 177.95 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.22 155.81 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.22 145.68 48.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.68 141.02 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.38 122.16 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 9.4 p90 -95.05 144.25 27.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.8 Cg_endo -69.83 -48.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.09 166.59 24.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.08 -39.65 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.478 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.7 t90 -65.06 -42.06 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.98 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.58 -44.96 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -69.97 -41.36 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.0 92.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.3 mt -61.57 -47.77 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -35.1 78.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.402 HG22 ' HD2' ' A' ' 26' ' ' ARG . 78.8 m -80.69 -25.29 38.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HA ' HG23 ' A' ' 62' ' ' VAL . 71.5 mt -100.35 -71.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.0 t -54.7 122.44 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.67 -2.9 71.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -131.41 11.75 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.822 HG11 HD21 ' A' ' 22' ' ' LEU . 84.6 t -146.52 131.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 68' ' ' ILE . 16.1 tt0 -119.57 132.52 55.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 64' ' ' LEU . 10.9 tp -124.1 125.59 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 23.6 m-70 62.17 29.23 17.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.52 3.86 90.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.541 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 9' ' ' ASN . 17.1 mtmt -119.19 131.0 55.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 63' ' ' GLU . 29.4 mm -68.04 127.07 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.599 ' SD ' HD21 ' A' ' 22' ' ' LEU . 9.8 ptm -83.18 137.53 34.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -112.33 129.48 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 t -123.96 130.75 73.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -154.98 155.3 33.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -53.74 122.72 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 74' ' ' SER . 42.1 mttm . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.789 0.328 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.597 HD22 HD11 ' A' ' 55' ' ' ILE . 12.5 mt -109.99 129.5 55.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -94.1 130.74 40.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -112.36 122.05 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.6 168.03 12.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.556 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.02 40.5 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -96.7 111.01 23.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.634 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.1 t -39.91 143.61 0.58 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.819 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.89 3.09 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.64 -18.65 13.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.634 HG23 ' HB3' ' A' ' 11' ' ' SER . 43.2 t -56.04 160.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.527 ' N ' HG12 ' A' ' 14' ' ' VAL . 26.4 p -144.47 160.07 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.1 -34.18 55.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -43.17 98.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.02 -37.67 81.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.1 mt -63.84 -47.49 80.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.73 -41.01 92.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.43 -37.2 77.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.891 HD21 HG11 ' A' ' 62' ' ' VAL . 47.4 tp -62.98 -48.59 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.671 ' CZ ' ' CD1' ' A' ' 58' ' ' LEU . 8.1 m-85 -62.89 -46.72 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -38.58 94.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.87 -24.81 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -95.55 18.86 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 57.34 35.31 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 mt -131.57 80.52 66.58 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.97 66.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mt -102.03 111.77 24.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.28 27.71 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.34 -153.9 6.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 2.9 tp60 -96.33 152.51 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.467 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 60.8 t -117.82 136.57 54.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.4 tt -129.05 129.6 45.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -118.87 114.9 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 11.7 mmmt -110.05 158.96 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -67.91 92.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.51 14.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.542 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 p90 -157.04 176.85 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.27 152.54 31.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -124.08 139.14 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -134.81 141.02 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -89.81 121.91 32.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -91.55 144.65 29.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.76 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.1 163.05 30.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -62.9 -38.2 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.472 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 13.8 t-20 -66.09 -45.65 80.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.535 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 40.8 t90 -58.64 -42.07 87.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.44 79.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.1 mt -62.23 -44.8 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -68.81 -38.19 79.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.38 -46.76 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.725 HG23 ' HB ' ' A' ' 71' ' ' VAL . 48.1 mt -62.71 -47.66 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.72 -40.15 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 m -76.96 -24.23 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.671 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 mt -97.18 -73.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' ' 71' ' ' VAL . 38.2 t -57.95 123.2 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.65 -16.88 55.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -128.27 20.72 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.891 HG11 HD21 ' A' ' 22' ' ' LEU . 55.3 t -147.91 127.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.06 136.4 52.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.6 tp -125.87 121.08 32.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 63.64 25.24 14.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.85 -13.38 64.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -104.38 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' ' 63' ' ' GLU . 11.9 mm -68.01 130.03 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.499 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 6.1 ptm -83.65 138.01 33.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -115.2 123.1 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.725 ' HB ' HG23 ' A' ' 55' ' ' ILE . 13.2 t -115.07 133.68 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -149.28 148.74 29.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -47.08 139.89 5.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 6.1 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.17 135.27 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -93.95 128.75 40.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.21 121.39 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.19 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.57 166.12 12.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 t30 71.49 41.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.03 127.99 47.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -62.9 147.86 93.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.3 15.87 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.27 -21.66 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.12 142.81 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -124.03 164.71 18.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.88 -41.33 74.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.97 -40.52 85.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -66.49 -42.02 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.7 mt -61.31 -47.62 85.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -61.98 -43.29 99.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.63 -34.72 76.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.28 -49.59 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.497 ' CD2' HD21 ' A' ' 30' ' ' LEU . 10.0 m-85 -64.62 -45.02 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.88 -37.71 94.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.73 -24.14 67.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HD2' HG22 ' A' ' 57' ' ' THR . 12.7 mmt-85 -95.12 19.13 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 61.11 37.58 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.9 mt -133.45 81.06 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 125.49 12.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 23' ' ' PHE . 14.3 mt -76.46 98.65 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.41 34.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.35 -140.84 3.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -112.17 151.83 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.0 t -122.01 137.75 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -129.01 124.12 34.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.96 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 14.3 mmmt -110.1 159.26 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -67.95 92.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.68 -14.87 26.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.0 p90 -155.48 178.04 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -159.23 143.93 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.24 141.37 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.4 140.95 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -92.03 121.98 34.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.55 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 33.0 p90 -92.04 143.07 27.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.713 0.768 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.1 Cg_endo -69.67 -50.23 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -137.1 161.91 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.79 -38.63 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.98 -44.17 93.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 31.7 t90 -64.93 -42.04 95.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.62 -44.38 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -69.34 -33.47 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.92 -46.6 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 59' ' ' SER . 23.1 mt -64.51 -47.74 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.01 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.412 HG22 ' HD2' ' A' ' 26' ' ' ARG . 17.5 m -79.93 -24.4 41.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.615 HD23 HG21 ' A' ' 62' ' ' VAL . 58.4 mt -99.69 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.0 t -56.19 116.08 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.64 -6.68 72.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 10.31 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.615 HG21 HD23 ' A' ' 58' ' ' LEU . 29.2 t -146.9 129.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -119.74 130.79 55.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 64' ' ' LEU . 11.5 tp -119.72 124.12 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 62.34 31.68 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.77 86.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -117.46 130.66 56.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -69.03 128.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.491 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.1 ptm -86.46 136.61 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -114.6 122.56 46.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.459 HG12 HG12 ' A' ' 55' ' ' ILE . 11.3 t -119.95 128.1 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.48 146.1 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -38.69 153.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.822 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.5 mttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.888 0.375 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 mt -112.97 137.69 50.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -98.45 118.92 36.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.82 123.89 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.91 163.86 12.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 70.38 42.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -104.99 104.83 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -41.85 151.19 0.33 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.749 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.14 6.03 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -101.1 -16.2 17.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.28 140.96 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.2 p -124.31 155.75 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.43 67.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.5 -40.12 90.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.17 -38.6 82.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -63.57 -47.61 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 4.2 ptp180 -64.5 -42.77 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.0 -35.26 78.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.65 HD21 HG11 ' A' ' 62' ' ' VAL . 28.6 tp -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -65.03 -46.6 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -35.23 91.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -60.95 -35.44 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.325 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -90.05 19.83 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.07 40.54 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.75 78.64 48.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 110.64 2.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.297 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 34' ' ' VAL . 10.7 mt -60.18 102.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.49 37.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.79 -159.44 9.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 29.3 tp60 -92.99 152.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 30' ' ' LEU . 95.4 t -122.26 137.06 57.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.2 tt -129.02 133.59 47.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 tp -118.65 114.72 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.2 mmtp -110.22 158.4 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -67.78 92.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.79 14.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.2 p90 -156.53 173.67 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.84 149.53 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -119.65 119.28 33.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.98 140.92 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -91.52 126.17 36.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.3 p90 -99.22 144.2 27.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.79 -50.04 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.68 2.254 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.44 155.6 46.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.18 -38.13 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -62.05 -42.35 99.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.8 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.469 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 45.6 t90 -65.03 -44.77 88.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.62 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.6 -44.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -68.76 -39.93 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.59 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' SER . 19.9 mt -64.71 -47.46 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.98 -39.08 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.0 m -79.76 -23.02 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 62' ' ' VAL . 38.4 mt -102.27 -74.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.1 t -52.36 117.69 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.81 45.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -121.18 18.6 11.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.65 HG11 HD21 ' A' ' 22' ' ' LEU . 39.1 t -147.66 128.8 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -110.56 143.66 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 64' ' ' LEU . 10.0 tp -136.39 119.11 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 20.1 m-70 63.76 25.05 14.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.11 78.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -109.52 133.17 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.02 129.71 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.484 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.2 ptm -83.56 137.2 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -116.19 126.08 53.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' CG1' HG12 ' A' ' 55' ' ' ILE . 6.1 t -117.67 129.97 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -40.71 152.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 -179.879 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.82 0.343 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.94 137.12 48.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 128.92 40.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -113.15 120.67 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.37 169.1 12.89 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.74 34.78 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -95.88 133.65 39.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.496 ' HB3' HG23 ' A' ' 14' ' ' VAL . 12.6 t -65.66 142.34 98.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.67 0.748 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.29 5.91 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.35 -12.4 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 11' ' ' SER . 92.3 t -74.73 140.78 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.1 p -118.45 166.86 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -53.88 -31.12 48.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.049 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -66.73 -39.98 88.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.77 -41.48 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -62.76 -47.63 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.51 -39.96 94.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.16 -32.87 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.739 HD21 HG11 ' A' ' 62' ' ' VAL . 37.9 tp -67.03 -48.92 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CD2' HD21 ' A' ' 30' ' ' LEU . 16.0 m-85 -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.49 -35.93 82.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.37 -33.25 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.759 0.314 . . . . 0.0 110.794 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -86.9 14.06 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? 62.61 39.12 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 10.2 mt -128.05 79.88 73.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 23' ' ' PHE . 7.5 mt -58.23 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.46 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.04 -147.11 4.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 7.2 tp60 -100.57 151.56 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 20.8 t -122.21 137.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -129.05 127.09 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 16' ' ' ALA . 36.8 tp -119.06 114.54 22.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.7 mmmt -110.47 160.6 16.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.2 m -68.36 91.36 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.09 -16.64 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.5 p90 -156.56 176.47 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.04 148.96 15.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -119.31 146.11 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.7 140.88 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.39 122.31 33.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -92.45 143.95 28.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.738 0.78 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.85 -38.22 7.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -150.74 166.34 30.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -64.11 -39.68 94.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -62.72 -45.79 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.482 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.3 t90 -60.5 -43.33 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.32 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.1 mt -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -69.68 -42.0 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.4 mt -64.08 -47.95 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.03 -36.05 82.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -80.94 -23.23 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 62' ' ' VAL . 77.6 mt -101.61 -67.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ILE . 11.2 t -54.96 117.49 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.11 -10.08 50.33 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -120.98 8.76 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.739 HG11 HD21 ' A' ' 22' ' ' LEU . 22.6 t -147.58 128.73 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.542 ' HB2' HD13 ' A' ' 68' ' ' ILE . 29.7 tt0 -117.49 129.99 56.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 14' ' ' VAL . 9.1 tp -117.42 125.52 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 60.01 37.17 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.31 -4.3 42.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.538 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -109.97 131.39 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.687 0.28 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.542 HD13 ' HB2' ' A' ' 63' ' ' GLU . 17.9 mm -68.61 129.9 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.3 ptm -83.11 136.76 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -114.13 123.12 48.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' A' ' 55' ' ' ILE . 5.6 t -117.9 126.4 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -152.53 139.18 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -37.68 148.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.846 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 mttt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.83 0.348 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mt -110.85 143.0 42.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -95.22 126.95 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mt -111.14 120.96 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.79 168.54 12.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.9 35.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -97.89 119.02 35.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.43 149.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.611 0.72 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.43 14.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.52 -19.04 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 144.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 p -124.62 161.02 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.51 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -58.97 -42.22 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.93 -38.21 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.8 mt -63.66 -47.5 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.08 -44.64 91.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -66.12 -33.01 74.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.736 HD21 HG11 ' A' ' 62' ' ' VAL . 21.9 tp -64.16 -49.49 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.514 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 10.5 m-85 -63.79 -43.02 97.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.79 -33.95 76.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -63.91 -24.64 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 2.5 mmp_? -96.64 19.37 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.41 37.23 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 54' ' ' ALA . 6.9 mt -134.85 80.62 48.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.643 0.735 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 132.88 24.25 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.514 HD23 ' CH2' ' A' ' 50' ' ' TRP . 12.1 mt -75.36 114.33 13.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.74 34.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.93 -150.7 5.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.28 154.8 18.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.431 ' CG2' HD13 ' A' ' 30' ' ' LEU . 47.2 t -122.05 136.77 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -128.58 124.51 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -110.91 114.83 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 19.3 mmmt -110.1 159.37 17.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -68.28 91.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.85 21.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 37' ' ' LYS . 7.9 p90 -156.14 178.05 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.74 150.33 17.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -118.2 143.97 46.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 m -135.84 140.95 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.41 123.88 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 51.8 p90 -101.0 144.62 28.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.904 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -145.18 165.34 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.7 -33.79 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.83 -46.11 89.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.514 ' CH2' HD23 ' A' ' 30' ' ' LEU . 33.1 t90 -65.87 -44.94 83.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -64.12 -50.9 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.3 mt -59.24 -43.09 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -70.0 -38.03 75.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 28' ' ' LEU . . . -66.88 -46.35 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 30.2 mt -64.78 -47.67 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.0 -36.9 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 75.5 m -80.49 -29.77 37.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 62' ' ' VAL . 45.9 mt -95.19 -67.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.6 t -56.75 113.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 1.46 89.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -133.87 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.736 HG11 HD21 ' A' ' 22' ' ' LEU . 25.2 t -147.49 130.72 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -120.4 130.79 54.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 64' ' ' LEU . 11.0 tp -120.21 127.19 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 59.96 26.29 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.96 -9.6 71.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -104.35 131.06 52.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.18 129.9 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.3 ptm -84.25 135.59 34.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -112.82 127.35 56.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 55' ' ' ILE . 2.4 t -120.65 131.13 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -152.21 145.32 24.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.6 139.8 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.838 -179.808 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.2 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.861 0.362 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.14 137.76 53.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -93.98 129.67 40.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -109.5 127.78 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.38 166.89 12.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.451 ' ND2' ' HB3' ' A' ' 67' ' ' LYS . 3.7 t30 66.64 50.88 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.3 110.38 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -46.27 150.95 1.02 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.11 20.22 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -95.17 -15.97 22.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.481 ' CG2' HD23 ' A' ' 64' ' ' LEU . 88.2 t -56.72 145.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -127.07 155.27 43.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.79 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.06 -40.1 87.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.2 mt -63.43 -47.4 82.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 15.7 ptm180 -67.12 -43.45 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.2 mm100 -66.92 -39.72 87.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.689 HD11 HG21 ' A' ' 62' ' ' VAL . 15.8 tp -60.26 -48.17 82.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 8.9 m-85 -62.26 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.42 -35.73 92.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.83 -37.2 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.03 19.25 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp 60.78 28.85 18.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -113.21 77.82 3.02 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.692 0.758 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.48 2.56 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.742 2.295 . . . . 0.0 112.381 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.529 HD23 ' CH2' ' A' ' 50' ' ' TRP . 11.0 mt -66.69 107.71 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.83 -152.25 5.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.509 ' NE2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.03 157.04 17.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 40.2 t -122.1 135.73 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.509 ' CD1' ' NE2' ' A' ' 33' ' ' GLN . 4.0 mp -124.42 128.06 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -112.72 114.4 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.499 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 13.6 mmtp -110.58 159.09 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 t -67.24 96.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.14 -19.04 23.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CD1' ' HB2' ' A' ' 37' ' ' LYS . 18.2 p90 -157.01 175.01 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.09 144.53 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -109.51 146.08 35.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.62 140.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.87 121.94 33.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -102.23 145.35 30.35 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -142.91 163.52 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -58.35 -36.4 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -61.94 -44.38 96.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.529 ' CH2' HD23 ' A' ' 30' ' ' LEU . 41.3 t90 -62.19 -43.58 98.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -50.72 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.3 mt -61.35 -45.04 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -68.26 -34.24 75.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.02 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.8 mt -64.24 -48.05 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.08 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.8 -25.91 37.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.567 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 68.9 mt -104.27 -72.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.5 t -51.7 124.1 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.98 4.98 88.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -129.3 -30.27 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.689 HG21 HD11 ' A' ' 22' ' ' LEU . 13.5 p -118.42 143.74 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.925 ' HB3' HD13 ' A' ' 68' ' ' ILE . 23.6 pm0 -132.15 145.02 51.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD23 ' CG2' ' A' ' 14' ' ' VAL . 6.8 tp -115.46 128.45 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.3 m-70 63.86 26.67 14.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.3 81.82 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HB3' ' ND2' ' A' ' 9' ' ' ASN . 41.2 mttm -105.13 130.42 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.925 HD13 ' HB3' ' A' ' 63' ' ' GLU . 8.0 mm -68.01 130.05 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.548 ' SD ' HG13 ' A' ' 62' ' ' VAL . 9.1 ptm -90.86 136.02 33.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.86 126.61 55.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 55' ' ' ILE . 61.6 t -111.76 126.39 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.9 t70 -153.66 144.1 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.6 m-85 -34.49 144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.867 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.774 0.321 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.1 mt -110.73 141.31 44.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 2.8 t80 -98.32 129.14 45.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -110.88 123.02 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.53 161.26 12.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 73.08 46.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -106.84 113.61 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -44.83 147.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.741 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -1.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.55 -18.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.6 t -57.39 140.63 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 p -119.48 158.36 26.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.8 -33.53 64.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -40.39 92.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.793 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -41.56 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -60.34 -47.52 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -65.49 -41.81 92.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -34.69 77.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' SD ' ' A' ' 69' ' ' MET . 31.4 tp -64.18 -48.93 74.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.615 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.4 m-85 -60.96 -44.84 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.18 91.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -32.99 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 19.9 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? 63.2 25.83 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.94 78.71 7.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.715 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 113.53 3.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 23' ' ' PHE . 4.9 mt -65.12 119.82 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.62 19.41 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.21 -144.38 4.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.55 163.26 14.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.16 144.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.06 135.88 49.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -113.59 114.36 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 19.9 mmmt -110.46 158.35 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -69.16 86.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.6 -11.02 18.89 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 2.7 p90 -157.07 177.99 10.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.908 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.51 144.85 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -109.5 146.07 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.21 140.83 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -92.24 124.32 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -102.66 146.71 32.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -142.89 163.85 31.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -62.03 -45.66 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 t90 -61.21 -42.07 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.69 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -60.52 -42.52 91.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.77 -39.96 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.23 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' SER . 31.1 mt -61.84 -47.7 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.69 -38.31 89.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -79.26 -23.53 43.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 72.9 mt -101.16 -72.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.0 t -55.02 117.42 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.36 -10.79 62.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 5.85 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.595 HG21 HD23 ' A' ' 58' ' ' LEU . 54.9 t -148.02 133.67 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.702 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.0 pm0 -132.18 148.0 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 tp -127.89 137.16 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 59.83 31.62 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.52 10.77 84.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -122.27 132.3 54.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 63' ' ' GLU . 15.3 mm -67.94 127.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.58 ' SD ' HD21 ' A' ' 22' ' ' LEU . 7.4 ptm -87.35 131.94 34.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -108.97 123.01 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.76 128.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -150.82 154.02 36.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.28 163.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mttp . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.428 HD22 HD11 ' A' ' 55' ' ' ILE . 9.9 mt -113.3 142.99 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.49 127.04 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.48 HG12 HG13 ' A' ' 71' ' ' VAL . 26.2 mt -111.18 122.1 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.194 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.87 168.22 12.51 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 70.83 41.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 mt -96.96 128.18 43.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -66.08 150.32 96.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.2 -14.66 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.575 ' CG2' HD23 ' A' ' 64' ' ' LEU . 86.2 t -67.86 137.73 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 p -122.12 163.24 19.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.6 -39.82 65.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.7 -40.38 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.74 -41.53 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -59.08 -47.49 85.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 12.2 ptm180 -66.0 -42.35 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.4 mm-40 -63.8 -33.29 75.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.436 HD21 ' SD ' ' A' ' 69' ' ' MET . 55.1 tp -68.22 -49.53 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.443 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.7 m-85 -64.1 -45.08 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.05 -34.41 88.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.416 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.23 -31.3 72.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.78 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.73 19.89 3.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER 62.42 26.66 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.59 80.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.9 31.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 34' ' ' VAL . 8.7 mt -85.92 105.65 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 35.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.28 -146.04 4.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -106.22 154.3 20.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.43 ' CG2' HD13 ' A' ' 30' ' ' LEU . 51.1 t -122.02 135.74 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.72 127.46 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.83 114.89 27.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 38.2 mmtt -110.12 158.29 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -67.03 94.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.58 -18.84 22.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 15.9 p90 -155.93 177.92 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.98 153.18 27.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -120.13 138.26 53.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.57 140.99 46.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -94.55 122.37 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.1 p90 -95.52 146.84 32.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.726 0.774 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.82 -47.92 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.742 2.295 . . . . 0.0 112.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -140.05 169.08 18.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HG2' HD11 ' A' ' 52' ' ' ILE . 44.4 tt0 -67.12 -38.42 85.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -62.5 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.408 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 33.2 t90 -65.4 -42.24 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.11 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.403 HD11 ' HG2' ' A' ' 48' ' ' GLN . 58.8 mt -58.74 -44.98 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -70.0 -38.67 76.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.87 77.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.454 HG23 ' HB ' ' A' ' 71' ' ' VAL . 64.8 mt -64.37 -47.81 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.78 -37.19 85.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 m -80.99 -27.89 35.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.655 HD23 HG21 ' A' ' 62' ' ' VAL . 72.3 mt -90.78 -71.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -57.06 122.75 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.4 -7.65 63.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -129.98 4.52 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.655 HG21 HD23 ' A' ' 58' ' ' LEU . 54.7 t -145.03 135.06 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' CB ' HD13 ' A' ' 68' ' ' ILE . 1.9 pt-20 -131.39 140.04 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.575 HD23 ' CG2' ' A' ' 14' ' ' VAL . 9.4 tp -119.72 132.7 55.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 61.45 44.12 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.98 11.25 43.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -122.61 135.71 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.708 0.289 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.478 HD13 ' CB ' ' A' ' 63' ' ' GLU . 20.1 mm -71.59 128.34 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.436 ' SD ' HD21 ' A' ' 22' ' ' LEU . 5.6 ptm -89.88 136.36 33.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -113.15 127.86 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.48 HG13 HG12 ' A' ' 7' ' ' ILE . 4.7 t -121.51 134.48 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -150.93 144.99 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -45.11 147.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.849 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 mttm . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.833 0.349 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -110.16 133.9 52.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.7 OUTLIER -94.07 130.42 40.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -111.24 122.17 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.26 162.86 12.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 72.3 40.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.842 0.354 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 10' ' ' LEU . 23.6 mt -93.89 121.12 35.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.53 ' HB2' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -51.81 149.78 8.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.15 -16.95 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 11' ' ' SER . 95.5 t -57.46 130.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.2 p -117.44 158.32 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.7 64.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.07 -42.58 98.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.63 -39.33 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.3 mt -60.14 -47.5 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -62.69 -44.3 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -66.33 -39.06 88.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' CE ' ' A' ' 69' ' ' MET . 21.1 tp -61.81 -47.2 86.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' CD2' HD21 ' A' ' 30' ' ' LEU . 6.0 m-85 -63.58 -44.31 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.32 -35.22 91.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.87 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -90.2 18.07 6.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 42.18 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 54' ' ' ALA . 13.3 mt -132.69 80.85 60.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 129.0 16.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.592 HD13 ' CG2' ' A' ' 34' ' ' VAL . 12.7 mt -77.45 101.42 6.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.96 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 46' ' ' PRO . . . -83.0 38.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.4 -143.48 3.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -108.5 154.21 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' A' ' 30' ' ' LEU . 31.7 t -122.04 135.45 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.95 128.14 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -112.76 114.83 27.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 21.7 mmtm -110.2 158.81 17.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -67.31 94.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.26 -18.29 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.8 p90 -156.61 176.57 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.3 148.3 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -114.24 145.27 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.0 m -140.93 141.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -93.27 124.98 37.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -96.17 144.12 27.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.69 -47.02 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -139.7 165.66 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.54 -39.99 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -62.59 -45.41 93.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.535 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.9 t90 -61.84 -41.98 98.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.26 93.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.3 -45.06 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -69.94 -38.5 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -65.81 -45.83 80.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' SER . 38.6 mt -62.84 -47.62 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.73 -37.93 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.9 m -80.05 -26.38 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 62' ' ' VAL . 78.5 mt -96.71 -69.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.4 t -57.48 112.96 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.62 -0.71 85.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -132.41 5.94 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 75.5 t -147.02 133.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.8 148.84 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 tp -130.05 133.52 46.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 61.04 25.25 15.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.22 2.47 89.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -110.86 136.36 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.45 125.59 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.49 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 7.2 ptm -88.3 134.23 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -113.64 136.65 52.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.4 131.28 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -155.2 153.6 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -46.76 126.94 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.6 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.3 mttt . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.818 0.342 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -113.22 145.1 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 1.1 t80 -94.88 129.58 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.41 120.21 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.84 167.82 12.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.22 35.58 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.931 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -96.17 121.12 37.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.567 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -50.43 143.66 13.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.11 -14.49 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 11' ' ' SER . 76.6 t -56.6 151.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.6 p -129.08 155.0 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.98 -36.52 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.85 -41.05 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.69 -41.01 88.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -59.04 -47.55 84.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -63.93 -44.79 91.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -40.17 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.63 HD11 HG21 ' A' ' 62' ' ' VAL . 26.6 tp -60.94 -48.85 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 12.0 m-85 -64.48 -38.27 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.48 -40.81 67.69 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.88 -23.55 66.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 mmt-85 -92.47 18.78 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm 60.55 36.09 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 23.5 mt -131.99 81.14 63.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.8 18.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.746 2.297 . . . . 0.0 112.303 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 23' ' ' PHE . 8.2 mt -85.13 104.36 14.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.58 36.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -153.69 6.21 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 4.1 tp-100 -96.76 152.09 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 88.3 t -122.24 134.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 2.9 mp -128.82 131.41 47.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -116.74 114.72 24.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 23.3 mmtp -110.26 158.93 17.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 m -67.42 94.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.788 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 -17.41 25.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 20.1 p90 -156.38 178.03 10.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.904 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 35' ' ' LEU . . . -156.22 155.94 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -121.61 135.61 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.1 m -130.26 140.95 47.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -93.52 122.01 35.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -95.65 144.33 27.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.738 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -46.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.71 162.19 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.7 -38.41 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -62.19 -41.5 98.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.76 -41.95 91.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.1 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -70.06 -29.33 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.02 -45.88 55.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.574 HG23 ' HB3' ' A' ' 59' ' ' SER . 24.1 mt -62.73 -47.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.4 m -75.9 -27.1 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 91.2 mt -103.84 -75.05 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.574 ' HB3' HG23 ' A' ' 55' ' ' ILE . 39.0 t -55.71 124.6 17.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.25 -3.75 70.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -124.3 -16.22 6.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 22' ' ' LEU . 4.4 p -136.08 143.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.899 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -128.98 146.79 50.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -121.5 133.76 55.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 63.92 25.03 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.33 -2.3 87.48 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.436 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.431 ' C ' ' HB2' ' A' ' 63' ' ' GLU . 25.6 mtpp -112.94 134.76 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.899 HD13 ' HB3' ' A' ' 63' ' ' GLU . 15.6 mm -68.79 130.02 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 4.1 ptm -84.51 138.29 32.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -117.17 123.69 47.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.56 130.22 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.5 t70 -155.6 140.07 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 91.0 m-85 -36.2 132.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.804 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.7 mttp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.759 0.314 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.15 138.98 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -94.47 122.99 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -102.98 122.03 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.41 168.86 12.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.22 46.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -108.25 109.74 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -47.77 154.92 0.87 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -2.95 11.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.626 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -100.66 -13.62 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.474 HG13 HD21 ' A' ' 64' ' ' LEU . 57.7 t -58.47 144.3 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 p -128.64 155.52 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.656 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -55.33 -40.19 70.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.71 -40.67 88.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.799 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.3 mt -62.95 -47.44 83.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -62.5 -45.05 94.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.96 -31.67 71.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.827 HD11 ' CG2' ' A' ' 62' ' ' VAL . 16.3 tp -64.26 -48.86 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CD2' HD21 ' A' ' 30' ' ' LEU . 11.4 m-85 -64.96 -40.73 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.36 -35.76 91.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 19.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 59.75 39.25 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -121.47 80.15 38.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 110.05 2.47 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.328 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.583 HD21 ' CD2' ' A' ' 23' ' ' PHE . 13.4 mt -66.47 100.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.63 37.29 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -154.78 6.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 25.5 tp60 -97.83 152.3 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 46.2 t -122.14 136.42 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -128.95 130.69 47.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 16' ' ' ALA . 53.6 tp -110.54 114.88 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 31.5 mmtm -110.22 158.03 18.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 t -68.0 90.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.69 -15.03 22.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.1 p90 -156.35 178.13 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.11 151.16 27.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.1 128.5 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.24 140.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.85 123.16 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -98.87 145.27 29.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.984 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.46 3.4 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.1 160.0 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.84 -36.69 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -62.09 -45.96 91.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -60.85 -42.44 97.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.77 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -60.84 -45.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 -69.44 -35.04 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.75 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' SER . 22.6 mt -62.99 -47.91 90.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.94 -39.17 93.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.4 m -80.24 -22.02 42.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.526 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 66.6 mt -102.43 -70.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.5 t -51.0 122.01 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.476 ' HA2' HG21 ' A' ' 68' ' ' ILE . . . 78.91 -14.03 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -107.11 -10.63 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.827 ' CG2' HD11 ' A' ' 22' ' ' LEU . 9.2 p -129.92 128.4 64.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -111.53 129.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.474 HD21 HG13 ' A' ' 14' ' ' VAL . 12.9 tp -118.85 119.69 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.626 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 6.6 m-70 64.0 36.29 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.44 -1.83 59.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -116.55 128.88 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.476 HG21 ' HA2' ' A' ' 60' ' ' GLY . 15.7 mm -67.82 130.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.529 ' SD ' HG11 ' A' ' 62' ' ' VAL . 10.3 ptm -87.98 138.25 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -113.43 123.44 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.43 126.05 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -154.44 141.46 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.6 m-85 -35.42 148.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.839 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.9 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.767 0.318 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.0 137.89 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 124.86 38.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.454 HG23 HG22 ' A' ' 71' ' ' VAL . 5.2 mt -109.73 120.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.01 168.53 12.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.72 43.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -104.08 118.44 36.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -48.45 143.65 7.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -106.44 -15.75 14.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.594 HG21 HD23 ' A' ' 64' ' ' LEU . 54.3 t -67.65 146.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -126.47 174.14 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.07 75.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.6 -41.8 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -68.43 -42.89 78.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.2 mt -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 11.8 ptm180 -66.15 -41.04 90.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.6 tt0 -68.09 -35.44 78.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.718 HD21 HG11 ' A' ' 62' ' ' VAL . 29.1 tp -63.89 -49.87 70.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 10.8 m-85 -63.96 -40.27 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.74 93.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -59.24 -33.42 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.02 19.02 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt 59.47 42.44 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 16.9 mt -124.59 76.51 63.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 109.33 2.27 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.724 2.282 . . . . 0.0 112.391 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.598 HD13 ' CG2' ' A' ' 34' ' ' VAL . 6.7 mt -57.4 100.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.21 41.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.54 -130.84 1.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -119.0 151.43 38.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.598 ' CG2' HD13 ' A' ' 30' ' ' LEU . 46.5 t -122.06 135.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.03 132.38 47.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -117.82 114.96 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 24.5 mmtp -110.1 158.95 17.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -68.31 90.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 -14.88 17.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.0 p90 -155.83 177.34 11.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.82 151.47 23.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.34 137.82 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.48 140.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -91.72 121.98 33.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -92.09 143.66 27.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.72 0.771 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.75 -49.95 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.414 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -139.64 167.5 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -62.83 -38.71 91.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -64.26 -42.79 96.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.549 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 36.8 t90 -62.88 -42.78 99.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.69 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.53 -44.05 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -69.67 -38.08 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -47.01 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' SER . 28.8 mt -62.4 -48.12 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.56 -40.46 94.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 m -79.23 -22.56 44.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.623 HD23 HG21 ' A' ' 62' ' ' VAL . 87.4 mt -99.86 -70.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.0 t -56.49 115.74 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.67 -4.47 78.77 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -126.53 8.8 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.718 HG11 HD21 ' A' ' 22' ' ' LEU . 87.4 t -147.36 130.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.06 146.84 34.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 14' ' ' VAL . 10.0 tp -137.2 119.94 16.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 33.5 m-70 62.54 25.91 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.64 -13.07 65.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -104.61 131.71 51.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.01 129.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ptm -83.01 132.73 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -113.74 125.73 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 55' ' ' ILE . 21.3 t -118.6 127.46 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' TYR . 1.1 m-20 -150.3 136.82 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' ASP . 34.2 m-85 -34.54 136.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.91 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.8 mttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.755 0.312 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.584 HD22 HD11 ' A' ' 55' ' ' ILE . 10.8 mt -110.01 131.74 54.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.04 127.46 39.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.8 mt -109.17 122.0 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.52 162.97 12.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 45.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.59 116.29 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.566 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.4 t -46.47 143.27 4.02 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.721 0.772 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 0.29 5.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.87 -18.09 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 11' ' ' SER . 71.3 t -60.32 158.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.511 ' N ' HG12 ' A' ' 14' ' ' VAL . 75.8 p -140.68 161.41 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.33 -31.4 33.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.33 -42.19 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.08 -38.91 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.2 mt -62.78 -47.55 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -63.94 -44.08 93.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -68.29 -31.17 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.697 HD21 HG11 ' A' ' 62' ' ' VAL . 28.3 tp -64.46 -49.97 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 9.8 m-85 -66.41 -42.33 87.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.01 -36.54 93.61 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.43 -34.03 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -85.41 19.29 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 59.62 38.12 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.19 80.66 68.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.551 0.691 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.52 13.42 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.87 110.77 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.32 29.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.19 -142.18 3.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -109.34 157.59 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -122.04 135.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.67 128.88 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 17.1 tp -119.14 114.4 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD2' ' C ' ' A' ' 36' ' ' LEU . 2.8 mptt -106.92 162.36 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 p -69.21 89.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.18 -14.11 13.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.435 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.7 p90 -156.87 178.04 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.915 0.388 . . . . 0.0 110.982 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.25 146.81 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -116.72 146.07 43.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.12 140.89 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -89.65 128.02 36.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 29.3 p90 -99.19 144.08 27.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.97 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.6 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.17 174.58 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.09 -40.55 74.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.2 -45.45 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 28.8 t90 -63.07 -42.06 99.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -62.73 -50.94 69.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.5 -44.96 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -68.56 -37.39 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.08 77.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.584 HD11 HD22 ' A' ' 5' ' ' LEU . 37.4 mt -63.09 -48.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.33 -36.5 78.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.5 m -80.04 -27.0 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.643 HD23 HG21 ' A' ' 62' ' ' VAL . 44.0 mt -97.49 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.3 t -53.65 108.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.13 -18.32 57.05 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -118.7 17.52 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.697 HG11 HD21 ' A' ' 22' ' ' LEU . 30.9 t -146.4 134.35 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -126.41 130.99 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 64' ' ' LEU . 8.5 tp -118.54 120.68 38.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 63.68 28.16 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.33 1.28 89.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -113.84 127.87 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.309 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -67.99 129.2 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.453 ' SD ' HD21 ' A' ' 22' ' ' LEU . 9.8 ptm -88.46 137.87 31.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -115.09 125.88 54.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.424 ' CG1' HG12 ' A' ' 55' ' ' ILE . 3.7 t -121.35 127.51 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -150.5 144.38 25.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -39.15 123.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.9 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.844 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.84 0.352 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.3 mt -110.06 135.64 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.13 128.75 40.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.0 mt -107.58 123.74 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.9 170.96 13.54 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 68' ' ' ILE . 2.6 t30 65.93 41.51 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -104.8 138.18 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.54 ' OG ' HG23 ' A' ' 14' ' ' VAL . 9.4 p -80.04 153.75 74.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.716 0.77 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -15.44 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.86 -18.81 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG23 ' OG ' ' A' ' 11' ' ' SER . 48.2 t -65.4 146.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.3 p -126.69 159.44 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.28 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -63.26 -41.13 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.17 -42.65 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.6 mt -59.95 -47.58 85.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.61 -39.12 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.69 -31.24 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.731 HD21 HG11 ' A' ' 62' ' ' VAL . 22.3 tp -70.13 -45.51 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 30' ' ' LEU . 11.2 m-85 -66.25 -37.82 86.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.36 -39.13 87.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.94 -23.87 66.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 1.3 mmp_? -91.26 19.57 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 58.85 26.7 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -126.3 76.12 72.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 152.2 69.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.391 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 23' ' ' PHE . 4.1 mt -103.92 131.65 50.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.3 26.2 9.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 44' ' ' ASP . . . -139.11 -139.59 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.507 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -112.17 155.48 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -122.12 136.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.09 136.09 49.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -117.49 114.73 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.4 mmmp? -110.3 157.6 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 p -67.0 93.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.72 -18.94 16.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.506 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.4 p90 -156.1 176.69 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.388 . . . . 0.0 110.94 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.92 151.39 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -117.0 128.9 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.63 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.427 ' C ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 t0 -86.87 125.27 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.6 p90 -102.25 143.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.31 164.3 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -60.43 -38.33 83.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -62.0 -44.92 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.25 -42.05 97.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.99 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -65.0 -44.94 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -69.38 -30.24 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.87 -43.43 62.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.0 mt -64.9 -48.13 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 96.0 m -76.81 -29.1 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 62' ' ' VAL . 68.7 mt -100.18 -73.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.9 p -51.04 128.92 22.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.44 -10.63 35.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 57' ' ' THR . 4.8 ttmm -121.73 -14.31 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.731 HG11 HD21 ' A' ' 22' ' ' LEU . 38.7 t -117.69 131.47 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HB2' HD13 ' A' ' 68' ' ' ILE . 29.5 tt0 -122.74 133.09 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 64' ' ' LEU . 7.0 tp -119.62 125.33 48.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 60.3 38.63 19.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.92 -4.41 30.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -108.63 129.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 63' ' ' GLU . 11.6 mm -68.03 128.95 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.486 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.4 ptm -83.72 136.65 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.58 126.38 54.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.79 126.38 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.13 157.21 40.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -44.15 153.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mt -117.35 142.26 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 1.8 t80 -94.03 130.68 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.805 HG12 HG13 ' A' ' 71' ' ' VAL . 10.4 mt -117.78 121.19 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.56 161.66 12.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 74.82 50.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.96 109.6 20.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 150.46 0.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.805 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.81 10.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.28 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.83 -19.43 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.7 t -58.7 136.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.7 p -125.93 161.83 26.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.24 -31.78 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.39 -42.25 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.408 ' OD1' HD11 ' A' ' 64' ' ' LEU . 4.3 t0 -68.5 -40.86 80.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.9 mt -61.64 -47.52 85.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 8.9 ptm180 -67.16 -38.24 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.0 tp-100 -70.09 -36.22 74.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.777 HD21 HG11 ' A' ' 62' ' ' VAL . 18.5 tp -68.44 -43.31 77.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 30' ' ' LEU . 5.0 m-85 -66.33 -42.61 87.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.8 -31.65 73.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.45 -34.2 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 7.5 mmp_? -87.48 16.82 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 61.32 40.85 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.99 80.93 70.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.71 10.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 23' ' ' PHE . 7.9 mt -74.1 104.55 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.06 39.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.04 -138.12 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.41 152.78 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.742 ' CG2' HD13 ' A' ' 30' ' ' LEU . 91.9 t -122.06 129.75 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.08 133.35 55.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 tp -118.94 114.92 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 1.4 mptp? -109.83 159.14 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -68.78 89.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 -13.74 16.16 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -157.03 176.28 12.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.04 150.76 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.8 m-85 -120.82 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.9 140.89 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -95.11 124.98 39.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.516 ' CD2' ' HB2' ' A' ' 51' ' ' ALA . 5.8 p90 -104.46 146.92 33.53 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.684 0.755 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.2 165.31 25.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -65.06 -34.03 77.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.72 -45.52 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -65.08 -42.18 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . . . -60.35 -50.17 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.35 -43.31 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -69.98 -30.62 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.44 -46.36 64.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.6 mt -64.11 -47.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.449 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 18.7 m -77.16 -23.85 51.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.074 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.726 HD23 HG21 ' A' ' 62' ' ' VAL . 61.9 mt -100.37 -71.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.4 t -55.13 114.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.97 -14.94 57.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -121.78 12.77 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.777 HG11 HD21 ' A' ' 22' ' ' LEU . 39.6 t -146.89 131.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.609 ' HB2' HD13 ' A' ' 68' ' ' ILE . 34.8 tt0 -122.68 133.67 54.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 64' ' ' LEU . 12.3 tp -124.53 127.23 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 60.11 37.04 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.2 -6.55 28.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 66.4 mttt -109.57 129.25 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.319 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 63' ' ' GLU . 14.2 mm -68.16 129.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.9 ptm -83.67 134.21 34.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -111.54 125.65 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.805 HG13 HG12 ' A' ' 7' ' ' ILE . 2.1 t -122.95 134.39 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.03 152.36 32.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -48.72 123.32 6.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.807 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.766 0.317 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -111.88 130.24 55.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.01 118.11 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.4 125.13 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.99 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.503 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.13 50.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.39 114.36 27.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 p -45.67 151.58 0.79 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.744 0.783 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.29 13.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.86 -14.53 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.702 HG22 HD23 ' A' ' 64' ' ' LEU . 75.5 t -52.76 144.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p -130.72 155.25 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.15 64.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -41.39 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -64.27 -42.56 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.4 mt -59.82 -47.39 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.33 -40.47 77.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -68.92 -32.2 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD21 HG11 ' A' ' 62' ' ' VAL . 21.1 tp -71.68 -49.7 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 9.6 m-85 -64.0 -42.86 97.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -39.16 96.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.88 -29.81 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -88.74 16.65 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 62.76 31.04 16.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.1 80.9 67.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 111.012 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.62 145.42 57.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.626 HD13 ' CG2' ' A' ' 34' ' ' VAL . 4.0 mt -95.59 101.47 13.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.46 42.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.19 -129.93 1.45 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -120.43 148.21 44.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.626 ' CG2' HD13 ' A' ' 30' ' ' LEU . 45.1 t -122.3 118.87 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.33 129.34 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 tp -112.46 115.13 28.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.3 mmmp? -109.8 158.91 17.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m -68.34 90.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.22 -14.5 18.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.5 p90 -155.73 176.17 12.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.67 148.24 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -116.34 146.14 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.51 140.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -91.32 122.26 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -94.62 144.37 27.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.95 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.14 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -139.74 165.14 28.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.11 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -62.18 -42.58 99.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -63.76 -42.32 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.8 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.4 mt -58.98 -44.39 90.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -70.06 -30.18 67.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -43.07 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.6 mt -65.02 -47.93 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.94 -41.36 99.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.5 m -76.61 -31.55 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.494 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 29.6 mt -97.63 -71.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.8 p -53.48 124.49 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.84 73.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.53 4.52 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.761 HG11 HD21 ' A' ' 22' ' ' LEU . 94.6 t -140.6 130.46 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HG3' ' C ' ' A' ' 67' ' ' LYS . 45.3 tt0 -122.37 130.01 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.702 HD23 HG22 ' A' ' 14' ' ' VAL . 11.1 tp -116.5 121.97 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 59.72 43.08 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.14 -1.57 17.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 18.4 mmtm -109.34 126.98 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.703 0.287 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mm -69.62 128.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.564 ' SD ' HD21 ' A' ' 22' ' ' LEU . 6.5 ptm -86.29 132.34 34.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -115.64 121.94 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.99 128.3 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -154.07 151.91 29.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -55.46 141.5 36.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.879 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mttm . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.759 0.314 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.01 139.89 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.54 128.4 44.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -112.65 120.72 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.32 167.08 12.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 71.08 41.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.61 113.61 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.479 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.4 t -45.72 143.26 3.19 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 2.02 3.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.13 -21.02 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 15' ' ' THR . 94.7 t -62.58 159.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.536 ' N ' HG12 ' A' ' 14' ' ' VAL . 24.9 p -140.0 163.8 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -53.93 -36.31 62.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.93 -44.73 91.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 18.7 m-20 -66.88 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -62.71 -47.48 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -66.79 -39.89 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.88 -32.46 70.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.753 HD21 HG11 ' A' ' 62' ' ' VAL . 23.8 tp -66.53 -49.57 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 30' ' ' LEU . 10.6 m-85 -61.13 -46.97 88.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.36 -37.38 94.75 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.05 -29.01 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -92.06 19.83 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 59.3 36.23 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -132.45 80.86 61.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.46 57.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 23' ' ' PHE . 3.5 mt -90.69 120.16 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 46' ' ' PRO . . . -97.53 31.1 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.77 -150.49 5.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -99.71 154.77 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG2' HD13 ' A' ' 30' ' ' LEU . 91.8 t -122.12 128.89 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.35 131.95 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 16' ' ' ALA . 28.4 tp -119.06 114.8 23.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mptp? -110.02 159.25 17.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.6 m -69.17 88.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -13.22 13.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.2 p90 -156.63 177.4 11.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.27 151.81 19.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.5 m-85 -123.28 145.91 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 m -137.29 140.96 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -91.34 121.98 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -91.74 144.22 29.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.7 -44.72 1.95 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -143.31 162.7 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -62.76 -37.58 87.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.4 -40.53 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.0 t90 -65.1 -42.83 93.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.27 96.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -64.7 -44.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -44.94 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.99 -48.0 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.05 -38.06 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.4 -27.16 38.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.26 -74.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 71' ' ' VAL . 27.7 t -51.11 127.42 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.41 -13.37 22.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -123.41 15.84 9.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.753 HG11 HD21 ' A' ' 22' ' ' LEU . 54.4 t -146.72 128.2 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.458 ' HB2' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -115.76 130.47 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 14' ' ' VAL . 11.1 tp -119.62 119.54 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 62.76 34.19 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.87 -7.71 53.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -107.65 130.88 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 63' ' ' GLU . 12.6 mm -68.0 128.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.428 ' SD ' HD21 ' A' ' 22' ' ' LEU . 8.6 ptm -84.5 133.39 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.25 127.46 55.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 59' ' ' SER . 3.2 t -118.96 127.39 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.7 m-20 -149.1 138.67 21.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ASP . 24.8 m-85 -35.67 139.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.868 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.785 0.326 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.603 HD22 HD11 ' A' ' 55' ' ' ILE . 9.6 mt -109.96 138.31 46.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.499 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.04 131.77 39.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.12 122.0 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.47 162.54 12.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 t30 72.86 44.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -103.6 112.76 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.628 ' OG ' HG23 ' A' ' 14' ' ' VAL . 50.8 p -48.89 152.76 1.68 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 0.74 5.25 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 -23.85 13.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' OG ' ' A' ' 11' ' ' SER . 94.5 t -48.15 133.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.7 p -116.72 160.06 21.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.96 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -62.92 -40.03 96.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.6 mt -62.42 -47.51 83.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.43 -38.4 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -69.81 -32.58 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.595 HD21 HG11 ' A' ' 62' ' ' VAL . 15.0 tp -68.16 -49.6 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.0 m-85 -62.32 -41.81 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.02 93.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.52 -31.21 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.47 ' NH2' HG23 ' A' ' 57' ' ' THR . 10.7 mmm180 -89.51 20.0 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 62.42 30.55 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 84.3 mt -121.2 80.91 36.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 121.67 8.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.54 108.75 13.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.09 34.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.6 -166.75 12.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -84.23 153.67 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.3 t -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.401 HD23 ' HE2' ' A' ' 37' ' ' LYS . 4.4 mp -123.0 129.99 52.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.11 114.75 22.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 0.8 OUTLIER -109.64 159.81 16.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -67.87 92.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.89 -16.77 18.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 9.2 p90 -155.9 177.73 11.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.47 152.83 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 10.5 m-85 -121.95 144.49 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m -134.12 140.9 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.01 121.99 33.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -93.12 144.11 27.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.5 Cg_endo -69.75 -46.52 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -142.95 158.95 43.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -56.37 -40.94 75.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -42.92 99.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.455 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.0 t90 -63.23 -42.07 99.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -62.97 -45.21 93.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.56 -44.65 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . . . -71.01 -46.5 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.603 HD11 HD22 ' A' ' 5' ' ' LEU . 21.7 mt -63.87 -47.61 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -62.85 -43.02 99.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.47 HG23 ' NH2' ' A' ' 26' ' ' ARG . 55.5 m -74.59 -25.23 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 98.4 mt -97.42 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 24.6 t -55.25 117.69 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.37 -10.33 73.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -134.77 13.8 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.595 HG11 HD21 ' A' ' 22' ' ' LEU . 42.3 t -147.82 132.7 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 1.017 ' HB3' HD13 ' A' ' 68' ' ' ILE . 24.6 pm0 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.2 tp -128.82 133.38 47.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 62.71 31.15 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 3.33 85.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -114.67 128.04 56.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.017 HD13 ' HB3' ' A' ' 63' ' ' GLU . 10.9 mm -68.19 125.8 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 22' ' ' LEU . 7.6 ptm -88.1 135.76 33.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -114.66 128.09 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 55' ' ' ILE . 3.5 t -117.28 131.62 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -157.27 143.4 17.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.8 m-85 -35.69 126.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.856 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.4 mttp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.798 0.332 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.595 HD22 HD11 ' A' ' 55' ' ' ILE . 9.0 mt -114.61 142.25 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 3.3 t80 -96.54 132.03 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.54 122.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.56 171.05 13.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 66.31 48.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 40' ' ' TYR . 80.2 mt -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 14' ' ' VAL . 4.3 p -49.89 151.54 3.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.08 6.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.751 2.301 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.81 -12.53 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' OG ' ' A' ' 11' ' ' SER . 89.9 t -68.69 134.21 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -117.67 161.66 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.1 -38.13 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -61.66 -41.65 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.26 -44.09 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.2 mt -59.03 -47.5 84.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -65.88 -44.53 85.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.16 -34.47 78.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 69' ' ' MET . 28.9 tp -65.18 -46.77 79.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.2 m-85 -66.15 -41.65 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.42 82.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.15 -31.99 73.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -89.79 20.04 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm 60.75 29.52 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -122.56 81.24 47.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.4 42.37 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 34' ' ' VAL . 5.7 mt -87.41 113.14 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.52 32.36 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.33 -135.98 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -117.4 154.65 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.452 ' CG2' HD13 ' A' ' 30' ' ' LEU . 65.5 t -122.08 140.12 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.9 136.08 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.5 tp -114.11 114.49 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' CB ' ' CE2' ' A' ' 40' ' ' TYR . 51.4 mmtt -110.35 158.27 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -69.51 84.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.49 18.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.516 ' CE2' ' CB ' ' A' ' 37' ' ' LYS . 2.1 p90 -156.73 177.93 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.52 147.58 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.28 139.4 49.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.61 140.93 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -97.84 123.16 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.603 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 52.5 p90 -94.98 143.93 26.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.708 0.766 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.76 2.306 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -133.81 152.33 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -55.04 -38.52 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -62.45 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -63.8 -42.07 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -60.75 -49.4 77.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.24 -44.61 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -68.42 -34.44 76.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -46.23 54.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.721 HG23 ' HB ' ' A' ' 71' ' ' VAL . 31.4 mt -64.17 -47.99 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.95 -40.87 98.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -78.1 -21.99 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.563 HD23 HG21 ' A' ' 62' ' ' VAL . 78.6 mt -96.59 -74.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t -56.59 126.0 24.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 -17.58 52.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -129.47 12.91 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.563 HG21 HD23 ' A' ' 58' ' ' LEU . 91.7 t -147.96 132.98 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.875 ' HB3' HD13 ' A' ' 68' ' ' ILE . 25.2 pm0 -134.75 147.69 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.409 HD23 ' CG2' ' A' ' 14' ' ' VAL . 10.6 tp -122.89 134.3 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 61.73 30.85 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.1 88.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -118.32 131.56 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.875 HD13 ' HB3' ' A' ' 63' ' ' GLU . 10.2 mm -68.57 128.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.467 ' SD ' HD21 ' A' ' 22' ' ' LEU . 8.1 ptm -91.65 136.46 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -108.72 131.2 55.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.721 ' HB ' HG23 ' A' ' 55' ' ' ILE . 12.2 t -124.36 131.03 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.3 m-20 -154.72 136.87 14.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' ASP . 3.4 m-85 -36.59 139.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.873 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 26.2 p -114.18 100.8 8.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.841 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.2 m -154.52 166.08 34.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.894 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -173.88 136.83 3.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 80.2 p -87.71 115.77 25.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.841 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 89.6 p -38.59 150.45 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.821 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -169.14 -115.65 0.34 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.405 ' SD ' ' C ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -57.9 147.77 27.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.827 0.346 . . . . 0.0 110.907 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 15.6 m-20 -131.04 178.49 6.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -146.23 166.47 26.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.09 136.79 48.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.1 128.41 40.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.7 mt -110.88 121.43 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.04 167.45 12.32 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.52 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.407 ' ND2' ' HB3' ' A' ' 67' ' ' LYS . 4.4 t30 70.83 41.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.891 0.377 . . . . 0.0 110.958 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.3 112.6 25.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -50.85 151.46 4.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 0.0 6.29 Favored 'Trans proline' 0 C--N 1.34 0.115 0 C-N-CA 122.673 2.249 . . . . 0.0 112.331 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -103.81 -13.03 16.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.063 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.22 135.49 28.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.9 p -121.65 162.36 20.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.65 -36.84 62.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.081 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.41 -42.92 92.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -67.35 -39.76 85.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -62.03 -47.43 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 31.8 ptt180 -66.69 -38.28 86.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.823 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.4 tt0 -68.4 -36.72 79.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.822 HD21 HG11 ' A' ' 62' ' ' VAL . 14.6 tp -67.06 -48.67 67.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.434 ' CD2' HD21 ' A' ' 30' ' ' LEU . 9.4 m-85 -62.4 -45.68 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.51 -38.54 90.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -31.24 69.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.826 0.346 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' HD2' HG22 ' A' ' 57' ' ' THR . 5.0 mmt180 -89.85 19.4 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 28.0 mmtt 60.82 32.43 20.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.4 mt -127.36 80.14 72.18 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.616 0.722 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 153.11 68.94 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.629 2.219 . . . . 0.0 112.401 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.768 HD13 ' CG2' ' A' ' 34' ' ' VAL . 5.3 mt -99.41 109.88 22.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.68 30.7 1.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.57 -132.57 2.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.503 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -119.82 153.99 34.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.321 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.768 ' CG2' HD13 ' A' ' 30' ' ' LEU . 42.3 t -122.02 139.19 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -128.72 133.81 48.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.7 tp -118.1 114.95 23.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -109.98 158.43 18.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.5 t -67.6 92.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.69 -16.77 18.7 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -156.36 177.95 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.884 0.374 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.22 155.81 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -123.22 145.68 48.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.932 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -137.68 141.02 40.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -91.38 122.16 33.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 45' ' ' TYR . 9.4 p90 -95.05 144.25 27.48 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.92 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.8 Cg_endo -69.83 -48.9 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.663 2.242 . . . . 0.0 112.308 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -140.09 166.59 24.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -63.74 -41.48 98.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -62.08 -39.65 93.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.478 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.7 t90 -65.06 -42.06 94.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.02 -49.98 70.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.069 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.8 mt -58.58 -44.96 90.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.114 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -69.97 -41.36 74.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.0 92.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.3 mt -61.57 -47.77 91.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -35.1 78.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.402 HG22 ' HD2' ' A' ' 26' ' ' ARG . 78.8 m -80.69 -25.29 38.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' HA ' HG23 ' A' ' 62' ' ' VAL . 71.5 mt -100.35 -71.71 0.69 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.955 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.0 t -54.7 122.44 10.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.67 -2.9 71.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -131.41 11.75 4.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.822 HG11 HD21 ' A' ' 22' ' ' LEU . 84.6 t -146.52 131.49 11.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' ' 68' ' ' ILE . 16.1 tt0 -119.57 132.52 55.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.423 HD12 ' HA ' ' A' ' 64' ' ' LEU . 10.9 tp -124.1 125.59 44.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 23.6 m-70 62.17 29.23 17.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.52 3.86 90.09 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.541 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.407 ' HB3' ' ND2' ' A' ' 9' ' ' ASN . 17.1 mtmt -119.19 131.0 55.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' ' 63' ' ' GLU . 29.4 mm -68.04 127.07 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.599 ' SD ' HD21 ' A' ' 22' ' ' LEU . 9.8 ptm -83.18 137.53 34.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -112.33 129.48 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 t -123.96 130.75 73.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -154.98 155.3 33.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -53.74 122.72 10.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 29.2 t -68.62 86.22 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.6 m -117.71 144.5 25.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.0 t -122.08 -60.05 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 18.0 tptp 39.76 43.4 1.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.6 tttp -120.8 109.71 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.8 tp -154.66 128.65 8.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.9 ttm-85 -66.14 137.1 56.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.806 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 p -113.98 125.95 54.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.4 t -119.79 81.81 1.79 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 144.82 141.51 3.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.507 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -172.08 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.637 2.225 . . . . 0.0 112.28 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.4 p -141.26 152.9 44.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.5 t -113.51 175.99 5.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 -179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 52.2 m -82.06 165.96 20.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.886 0.375 . . . . 0.0 110.808 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 11.1 t -174.11 150.15 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 157.59 -128.42 2.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.438 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 60.4 p -121.06 -179.96 4.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.902 0.382 . . . . 0.0 110.854 -179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 43.9 p -99.39 148.13 24.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -151.13 -166.94 14.23 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.1 tpt -111.18 124.44 52.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.746 0.308 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -116.62 -177.87 3.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 74' ' ' SER . 42.1 mttm -146.32 167.04 24.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.985 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD22 HD11 ' A' ' 55' ' ' ILE . 12.5 mt -109.99 129.5 55.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -94.1 130.74 40.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -112.36 122.05 65.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.6 168.03 12.48 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.556 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 t30 68.02 40.5 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.5 mt -96.7 111.01 23.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.634 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.1 t -39.91 143.61 0.58 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.677 0.751 . . . . 0.0 110.819 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.7 2.89 3.09 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.363 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.64 -18.65 13.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.634 HG23 ' HB3' ' A' ' 11' ' ' SER . 43.2 t -56.04 160.21 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.527 ' N ' HG12 ' A' ' 14' ' ' VAL . 26.4 p -144.47 160.07 41.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.1 -34.18 55.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.74 -43.17 98.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.952 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -68.02 -37.67 81.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.1 mt -63.84 -47.49 80.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.888 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -65.73 -41.01 92.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -69.43 -37.2 77.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.891 HD21 HG11 ' A' ' 62' ' ' VAL . 47.4 tp -62.98 -48.59 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.671 ' CZ ' ' CD1' ' A' ' 58' ' ' LEU . 8.1 m-85 -62.89 -46.72 86.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.913 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.95 -38.58 94.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.87 -24.81 67.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.821 0.343 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -95.55 18.86 11.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 mmmt 57.34 35.31 25.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.5 mt -131.57 80.52 66.58 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.641 0.734 . . . . 0.0 110.92 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 154.97 66.91 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.2 mt -102.03 111.77 24.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.28 27.71 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -141.34 -153.9 6.06 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 2.9 tp60 -96.33 152.51 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.82 0.343 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.467 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 60.8 t -117.82 136.57 54.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.4 tt -129.05 129.6 45.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 tp -118.87 114.9 23.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.459 ' HG2' ' CD2' ' A' ' 35' ' ' LEU . 11.7 mmmt -110.05 158.96 17.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.965 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 80.4 p -67.91 92.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.33 -17.51 14.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.542 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 1.3 p90 -157.04 176.85 12.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.886 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.27 152.54 31.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -124.08 139.14 54.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 28.3 m -134.81 141.02 44.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.122 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.5 OUTLIER -89.81 121.91 32.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 179.87 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -91.55 144.65 29.9 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.671 0.748 . . . . 0.0 110.935 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.76 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.728 2.285 . . . . 0.0 112.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -134.1 163.05 30.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.472 ' OE1' ' N ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -62.9 -38.2 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.472 ' N ' ' OE1' ' A' ' 48' ' ' GLN . 13.8 t-20 -66.09 -45.65 80.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.535 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 40.8 t90 -58.64 -42.07 87.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.37 -48.44 79.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.1 mt -62.23 -44.8 99.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.122 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -68.81 -38.19 79.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.38 -46.76 69.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.725 HG23 ' HB ' ' A' ' 71' ' ' VAL . 48.1 mt -62.71 -47.66 91.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.72 -40.15 96.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 m -76.96 -24.23 52.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.671 ' CD1' ' CZ ' ' A' ' 23' ' ' PHE . 80.4 mt -97.18 -73.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' ' 71' ' ' VAL . 38.2 t -57.95 123.2 15.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.65 -16.88 55.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -128.27 20.72 6.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.321 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.891 HG11 HD21 ' A' ' 22' ' ' LEU . 55.3 t -147.91 127.93 4.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.181 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.06 136.4 52.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.6 tp -125.87 121.08 32.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 63.64 25.24 14.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.85 -13.38 64.62 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.2 mttm -104.38 133.13 49.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.733 0.301 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.441 HD13 ' HB2' ' A' ' 63' ' ' GLU . 11.9 mm -68.01 130.03 32.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.499 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 6.1 ptm -83.65 138.01 33.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.853 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -115.2 123.1 48.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.725 ' HB ' HG23 ' A' ' 55' ' ' ILE . 13.2 t -115.07 133.68 60.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.146 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -149.28 148.74 29.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -47.08 139.89 5.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 6.1 t -89.27 87.6 7.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.877 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 30.0 m -145.16 164.45 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 62.1 m -125.41 42.7 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.838 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -103.25 152.29 21.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.7 tttt -169.02 154.62 6.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 pp -136.96 149.4 47.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 51.9 ttt180 -109.57 154.81 22.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.1 t -89.56 135.45 33.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 61.8 p -123.9 -43.13 2.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -120.4 82.42 0.34 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 104.64 1.35 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.361 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 80.0 p -166.69 165.83 16.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.822 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.6 m -44.81 -50.44 10.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.816 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.249 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.496 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 33.8 m -94.53 94.13 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.862 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.2 t -125.99 150.17 48.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 65.15 -129.39 34.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.45 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 61.6 m -47.06 124.24 6.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 110.853 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 50.5 p -174.96 172.37 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 132.24 166.37 11.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -43.64 150.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.805 0.336 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -100.72 -175.2 2.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -138.93 166.54 24.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.2 mt -110.17 135.27 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -93.95 128.75 40.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -112.21 121.39 64.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.19 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.57 166.12 12.22 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.518 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 t30 71.49 41.22 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 69.3 mt -101.03 127.99 47.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 m -62.9 147.86 93.16 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.61 0.719 . . . . 0.0 110.92 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -5.3 15.87 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.27 -21.66 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 38.7 t -61.12 142.81 15.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.0 p -124.03 164.71 18.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.88 -41.33 74.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -58.97 -40.52 85.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -66.49 -42.02 88.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.7 mt -61.31 -47.62 85.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.6 mtt180 -61.98 -43.29 99.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -68.63 -34.72 76.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.28 -49.59 76.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.497 ' CD2' HD21 ' A' ' 30' ' ' LEU . 10.0 m-85 -64.62 -45.02 88.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.88 -37.71 94.19 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -64.73 -24.14 67.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.846 0.355 . . . . 0.0 110.911 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.412 ' HD2' HG22 ' A' ' 57' ' ' THR . 12.7 mmt-85 -95.12 19.13 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.83 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 mptt 61.11 37.58 17.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.9 mt -133.45 81.06 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.596 0.713 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 125.49 12.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.646 2.231 . . . . 0.0 112.295 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 23' ' ' PHE . 14.3 mt -76.46 98.65 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.971 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.41 34.44 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -145.35 -140.84 3.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -112.17 151.83 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.0 t -122.01 137.75 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -129.01 124.12 34.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 43.7 tp -106.96 114.8 29.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.414 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 14.3 mmmt -110.1 159.26 17.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.907 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.7 t -67.95 92.66 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.68 -14.87 26.97 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.414 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.0 p90 -155.48 178.04 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.918 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -159.23 143.93 15.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.167 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -110.24 141.37 43.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.937 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 31.4 m -134.4 140.95 44.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -92.03 121.98 34.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.55 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 33.0 p90 -92.04 143.07 27.08 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.713 0.768 . . . . 0.0 110.936 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.569 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.1 Cg_endo -69.67 -50.23 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -137.1 161.91 34.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -59.79 -38.63 82.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 46.5 m-20 -63.98 -44.17 93.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 31.7 t90 -64.93 -42.04 95.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.55 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -61.52 -48.93 78.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.62 -44.38 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -69.34 -33.47 73.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.92 -46.6 71.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 59' ' ' SER . 23.1 mt -64.51 -47.74 87.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.83 -37.01 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.412 HG22 ' HD2' ' A' ' 26' ' ' ARG . 17.5 m -79.93 -24.4 41.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.615 HD23 HG21 ' A' ' 62' ' ' VAL . 58.4 mt -99.69 -67.66 0.84 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.0 t -56.19 116.08 2.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.799 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 83.64 -6.68 72.46 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.64 10.31 7.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.339 . . . . 0.0 110.839 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.615 HG21 HD23 ' A' ' 58' ' ' LEU . 29.2 t -146.9 129.82 8.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -119.74 130.79 55.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 64' ' ' LEU . 11.5 tp -119.72 124.12 45.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 62.34 31.68 17.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.778 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.77 86.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.518 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -117.46 130.66 56.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -69.03 128.8 33.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.491 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.1 ptm -86.46 136.61 33.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.84 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -114.6 122.56 46.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.459 HG12 HG12 ' A' ' 55' ' ' ILE . 11.3 t -119.95 128.1 75.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -150.48 146.1 26.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.81 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -38.69 153.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 53.3 p -95.58 60.47 2.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -119.11 128.33 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.4 m -99.53 -45.56 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.81 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.5 tptt -168.79 107.55 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -73.13 148.67 43.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.983 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.9 tp -115.98 98.7 6.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -152.0 149.15 28.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.6 p -142.68 151.05 40.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 21.7 m -114.88 149.52 37.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 122.72 81.34 0.56 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.52 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.67 107.23 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.727 2.285 . . . . 0.0 112.344 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 93.8 p -117.33 122.56 44.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.3 m -144.12 134.84 25.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 36.7 m -107.23 -59.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.36 . . . . 0.0 110.801 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 50.9 m -71.75 144.47 49.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.802 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -115.73 115.79 3.49 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 18.8 m -55.55 -50.1 70.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.78 0.324 . . . . 0.0 110.897 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 78.2 p -145.52 148.97 33.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 97.71 132.08 7.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.459 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.87 135.18 21.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.486 ' HB3' ' CE2' ' A' ' 45' ' ' TYR . 5.5 t-20 -99.14 174.98 6.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -147.21 166.27 27.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 15.5 mt -112.97 137.69 50.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.965 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -98.45 118.92 36.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mt -99.82 123.89 52.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.91 163.86 12.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.442 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t30 70.38 42.96 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -104.99 104.83 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.9 t -41.85 151.19 0.33 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.672 0.749 . . . . 0.0 110.814 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 0.14 6.03 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.705 2.27 . . . . 0.0 112.364 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.443 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -101.1 -16.2 17.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.111 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.28 140.96 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.087 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.2 p -124.31 155.75 38.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.33 -37.43 67.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.11 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -60.5 -40.12 90.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -68.17 -38.6 82.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -63.57 -47.61 80.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 4.2 ptp180 -64.5 -42.77 95.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.0 -35.26 78.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.65 HD21 HG11 ' A' ' 62' ' ' VAL . 28.6 tp -66.82 -49.81 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -65.03 -46.6 80.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.85 -35.23 91.01 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER -60.95 -35.44 76.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.325 . . . . 0.0 110.896 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -90.05 19.83 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? 62.07 40.54 11.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.855 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -122.75 78.64 48.68 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.651 0.738 . . . . 0.0 110.855 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.85 110.64 2.62 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.297 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD13 HG21 ' A' ' 34' ' ' VAL . 10.7 mt -60.18 102.3 0.16 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.49 37.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.79 -159.44 9.56 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.426 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 29.3 tp60 -92.99 152.23 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.946 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.505 HG21 HD13 ' A' ' 30' ' ' LEU . 95.4 t -122.26 137.06 57.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' CD2' ' HG2' ' A' ' 37' ' ' LYS . 1.2 tt -129.02 133.59 47.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 37.5 tp -118.65 114.72 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.492 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.2 mmtp -110.22 158.4 18.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 m -67.78 92.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.791 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.1 -17.79 14.64 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.527 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.492 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 5.2 p90 -156.53 173.67 16.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.372 . . . . 0.0 110.927 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.84 149.53 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.065 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -119.65 119.28 33.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.4 m -120.98 140.92 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.171 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -91.52 126.17 36.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.486 ' CE2' ' HB3' ' A' ' 3' ' ' ASN . 21.3 p90 -99.22 144.2 27.8 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-O 121.668 0.747 . . . . 0.0 110.884 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.469 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.79 -50.04 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.68 2.254 . . . . 0.0 112.309 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -140.44 155.6 46.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -56.18 -38.13 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -62.05 -42.35 99.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.8 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.469 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 45.6 t90 -65.03 -44.77 88.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.46 -45.62 91.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.6 -44.78 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 36.4 ttt180 -68.76 -39.93 80.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.2 -46.59 76.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' SER . 19.9 mt -64.71 -47.46 88.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -62.98 -39.08 93.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.0 m -79.76 -23.02 42.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 62' ' ' VAL . 38.4 mt -102.27 -74.23 0.63 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.1 t -52.36 117.69 3.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.02 -18.81 45.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmmm -121.18 18.6 11.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.65 HG11 HD21 ' A' ' 22' ' ' LEU . 39.1 t -147.66 128.8 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -110.56 143.66 40.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 64' ' ' LEU . 10.0 tp -136.39 119.11 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.443 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 20.1 m-70 63.76 25.05 14.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.26 -9.11 78.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.4 mttm -109.52 133.17 53.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 110.837 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.2 mm -68.02 129.71 32.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.484 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.2 ptm -83.56 137.2 33.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.862 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -116.19 126.08 53.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' CG1' HG12 ' A' ' 55' ' ' ILE . 6.1 t -117.67 129.97 73.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -154.98 142.2 19.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -40.71 152.42 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p -82.21 -14.01 56.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.904 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 6.3 m -79.06 -17.23 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 24.5 m -65.21 112.35 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -129.89 160.79 32.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -61.45 143.61 55.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.427 HD22 ' HA ' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -42.12 114.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 27.4 ttm180 -125.79 143.34 51.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t -172.33 171.54 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 m -157.29 107.35 2.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -49.65 165.44 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 170.69 16.01 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 2.259 . . . . 0.0 112.29 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 70.2 m -127.29 167.6 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -104.42 100.4 10.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.818 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 1.4 t -125.71 -61.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 22.8 t -57.25 96.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -79.78 -85.34 0.61 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.482 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 15.2 m -131.16 126.15 34.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.902 0.382 . . . . 0.0 110.878 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 57.5 p -131.5 175.08 9.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -119.63 -72.31 0.36 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.435 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.3 ptm -165.16 130.13 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.8 0.333 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -101.76 167.07 10.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.0 mttp -146.25 165.47 29.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mt -110.94 137.12 48.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 128.92 40.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -113.15 120.67 63.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.37 169.1 12.89 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.506 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 69.74 34.78 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.816 0.341 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -95.88 133.65 39.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.945 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.496 ' HB3' HG23 ' A' ' 14' ' ' VAL . 12.6 t -65.66 142.34 98.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.67 0.748 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 0.29 5.91 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.653 2.235 . . . . 0.0 112.329 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -100.35 -12.4 19.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.496 HG23 ' HB3' ' A' ' 11' ' ' SER . 92.3 t -74.73 140.78 16.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.1 p -118.45 166.86 12.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -53.88 -31.12 48.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.049 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -66.73 -39.98 88.19 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -68.77 -41.48 78.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -62.76 -47.63 82.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -64.51 -39.96 94.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -67.16 -32.87 74.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.739 HD21 HG11 ' A' ' 62' ' ' VAL . 37.9 tp -67.03 -48.92 66.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CD2' HD21 ' A' ' 30' ' ' LEU . 16.0 m-85 -64.21 -36.03 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.49 -35.93 82.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -60.37 -33.25 72.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.759 0.314 . . . . 0.0 110.794 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -86.9 14.06 7.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? 62.61 39.12 11.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.435 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 10.2 mt -128.05 79.88 73.1 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.945 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 110.48 2.57 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.677 2.252 . . . . 0.0 112.341 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.57 HD21 ' CD2' ' A' ' 23' ' ' PHE . 7.5 mt -58.23 100.4 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.46 36.08 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.04 -147.11 4.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.462 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 7.2 tp60 -100.57 151.56 21.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.353 . . . . 0.0 110.908 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 20.8 t -122.21 137.0 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.056 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -129.05 127.09 40.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 16' ' ' ALA . 36.8 tp -119.06 114.54 22.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 12.7 mmmt -110.47 160.6 16.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 63.2 m -68.36 91.36 0.39 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.09 -16.64 13.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.462 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.5 p90 -156.56 176.47 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.917 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.04 148.96 15.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -119.31 146.11 45.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 26.7 m -137.7 140.88 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -90.39 122.31 33.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -92.45 143.95 28.08 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.738 0.78 . . . . 0.0 110.894 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.482 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.85 -38.22 7.9 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.693 2.262 . . . . 0.0 112.327 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -150.74 166.34 30.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -64.11 -39.68 94.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -62.72 -45.79 91.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.482 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.3 t90 -60.5 -43.33 97.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.32 94.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 59.1 mt -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -69.68 -42.0 74.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -46.95 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.046 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.4 mt -64.08 -47.95 88.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.099 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -63.03 -36.05 82.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 4.0 m -80.94 -23.23 38.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.488 HD23 HG21 ' A' ' 62' ' ' VAL . 77.6 mt -101.61 -67.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 55' ' ' ILE . 11.2 t -54.96 117.49 3.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.11 -10.08 50.33 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.453 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -120.98 8.76 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.739 HG11 HD21 ' A' ' 22' ' ' LEU . 22.6 t -147.58 128.73 5.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.542 ' HB2' HD13 ' A' ' 68' ' ' ILE . 29.7 tt0 -117.49 129.99 56.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.816 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 14' ' ' VAL . 9.1 tp -117.42 125.52 51.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 60.01 37.17 21.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.31 -4.3 42.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.538 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -109.97 131.39 55.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.687 0.28 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.542 HD13 ' HB2' ' A' ' 63' ' ' GLU . 17.9 mm -68.61 129.9 33.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.434 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.3 ptm -83.11 136.76 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -114.13 123.12 48.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.454 ' CG1' HG12 ' A' ' 55' ' ' ILE . 5.6 t -117.9 126.4 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -152.53 139.18 18.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -37.68 148.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 55.3 p -101.39 36.26 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.839 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 32.7 m -127.17 151.8 34.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.159 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.0 t -127.95 110.19 12.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.3 tmtm? -72.11 77.53 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -100.8 142.38 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.5 tp -86.63 111.16 20.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.6 mmt-85 -93.68 -51.04 5.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.84 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -99.93 128.09 46.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 53.8 p -126.13 96.11 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.94 83.49 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.464 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -40.88 4.71 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.0 m -112.06 170.11 8.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 73.7 p -120.71 -43.51 2.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 3.4 t -112.15 -45.29 3.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.864 0.364 . . . . 0.0 110.907 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.6 t -77.08 165.26 24.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 163.79 -160.01 32.79 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.9 t -139.78 152.76 46.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 28.8 t -111.82 -30.71 7.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.921 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 92.39 146.23 18.21 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.8 mmt 61.8 36.23 16.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.82 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -52.19 107.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.957 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -141.86 166.7 23.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.857 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mt -110.85 143.0 42.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -95.22 126.95 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.5 mt -111.14 120.96 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.196 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -116.79 168.54 12.8 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 73.9 35.67 0.78 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.827 0.346 . . . . 0.0 110.903 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.4 mt -97.89 119.02 35.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.43 149.9 18.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.611 0.72 . . . . 0.0 110.873 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -4.43 14.01 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.645 2.23 . . . . 0.0 112.363 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.52 -19.04 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.095 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.6 t -59.04 144.14 12.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.147 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.3 p -124.62 161.02 27.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.148 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.22 -38.51 71.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -58.97 -42.22 89.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.93 -38.21 85.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.8 mt -63.66 -47.5 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.08 -44.64 91.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.4 mm100 -66.12 -33.01 74.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.736 HD21 HG11 ' A' ' 62' ' ' VAL . 21.9 tp -64.16 -49.49 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.514 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 10.5 m-85 -63.79 -43.02 97.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.804 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.79 -33.95 76.63 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.5 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -63.91 -24.64 67.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.751 0.31 . . . . 0.0 110.833 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.473 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 2.5 mmp_? -96.64 19.37 12.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm 62.41 37.23 13.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 54' ' ' ALA . 6.9 mt -134.85 80.62 48.69 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.643 0.735 . . . . 0.0 110.93 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 132.88 24.25 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.683 2.255 . . . . 0.0 112.306 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.514 HD23 ' CH2' ' A' ' 50' ' ' TRP . 12.1 mt -75.36 114.33 13.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.74 34.49 1.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.93 -150.7 5.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -100.28 154.8 18.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.431 ' CG2' HD13 ' A' ' 30' ' ' LEU . 47.2 t -122.05 136.77 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.0 mp -128.58 124.51 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.0 tp -110.91 114.83 28.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HG3' ' CE2' ' A' ' 40' ' ' TYR . 19.3 mmmt -110.1 159.37 17.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 95.7 p -68.28 91.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.04 -14.85 21.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.544 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.469 ' CE2' ' HG3' ' A' ' 37' ' ' LYS . 7.9 p90 -156.14 178.05 10.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.959 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.74 150.33 17.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.073 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -118.2 143.97 46.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.0 m -135.84 140.95 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.182 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -95.41 123.88 39.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.625 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 51.8 p90 -101.0 144.62 28.92 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.677 0.751 . . . . 0.0 110.904 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -46.81 1.09 Allowed 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.651 2.234 . . . . 0.0 112.38 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -145.18 165.34 28.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -57.7 -33.79 68.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -62.83 -46.11 89.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' CH2' HD23 ' A' ' 30' ' ' LEU . 33.1 t90 -65.87 -44.94 83.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.625 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -64.12 -50.9 66.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 61.3 mt -59.24 -43.09 88.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.07 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.3 ttm180 -70.0 -38.03 75.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.834 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HA ' HD13 ' A' ' 28' ' ' LEU . . . -66.88 -46.35 75.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 30.2 mt -64.78 -47.67 87.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.165 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -63.0 -36.9 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.817 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.473 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 75.5 m -80.49 -29.77 37.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.725 HD23 HG21 ' A' ' 62' ' ' VAL . 45.9 mt -95.19 -67.08 0.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.6 t -56.75 113.59 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.73 1.46 89.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 57' ' ' THR . 0.7 OUTLIER -133.87 10.25 3.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.839 0.352 . . . . 0.0 110.852 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.736 HG11 HD21 ' A' ' 22' ' ' LEU . 25.2 t -147.49 130.72 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.088 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -120.4 130.79 54.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' ' 64' ' ' LEU . 11.0 tp -120.21 127.19 52.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 59.96 26.29 15.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.96 -9.6 71.6 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 44.3 mttm -104.35 131.06 52.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.779 0.323 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.5 mm -70.18 129.9 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.205 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.457 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.3 ptm -84.25 135.59 34.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -112.82 127.35 56.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.471 ' CG1' HG12 ' A' ' 55' ' ' ILE . 2.4 t -120.65 131.13 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.181 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -152.21 145.32 24.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.6 139.8 15.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 47.8 t -101.95 44.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.838 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 25.2 m -100.66 149.27 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 m -141.11 127.12 19.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.8 mmtt -111.55 47.68 1.01 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.6 tppp? -50.39 123.7 9.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 15.4 mt -148.69 160.42 43.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 53.7 ttt-85 -108.77 -52.12 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 t -120.49 152.84 37.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.8 m -151.03 146.73 26.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.87 139.88 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -10.52 28.79 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.5 t -116.27 138.81 51.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.9 t -111.01 104.04 12.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.462 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 92.8 p -170.04 109.66 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 8.7 t -156.8 106.68 2.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 52.4 49.69 50.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.518 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.0 p -159.78 144.21 14.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.898 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 15.3 m -119.18 92.22 3.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -97.83 -162.17 31.07 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.9 ttp -81.57 103.55 11.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.852 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 44.9 m-80 -116.89 109.2 16.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -147.35 166.92 25.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.838 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.0 mt -120.14 137.76 53.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.5 OUTLIER -93.98 129.67 40.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 mt -109.5 127.78 66.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.38 166.89 12.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.485 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.451 ' ND2' ' HB3' ' A' ' 67' ' ' LYS . 3.7 t30 66.64 50.88 1.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.835 0.35 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.9 mt -112.3 110.38 20.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.935 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -46.27 150.95 1.02 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.656 0.741 . . . . 0.0 110.88 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -7.11 20.22 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -95.17 -15.97 22.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.077 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.481 ' CG2' HD23 ' A' ' 64' ' ' LEU . 88.2 t -56.72 145.02 7.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.062 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 p -127.07 155.27 43.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.31 -37.79 62.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.35 -40.38 90.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -67.06 -40.1 87.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.943 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.2 mt -63.43 -47.4 82.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 15.7 ptm180 -67.12 -43.45 82.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 14.2 mm100 -66.92 -39.72 87.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.689 HD11 HG21 ' A' ' 62' ' ' VAL . 15.8 tp -60.26 -48.17 82.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.567 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 8.9 m-85 -62.26 -39.81 94.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.42 -35.73 92.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -59.83 -37.2 78.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 0.0 110.838 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.03 19.25 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp 60.78 28.85 18.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.1 mt -113.21 77.82 3.02 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.692 0.758 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 110.48 2.56 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.742 2.295 . . . . 0.0 112.381 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.529 HD23 ' CH2' ' A' ' 50' ' ' TRP . 11.0 mt -66.69 107.71 2.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.36 0.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.83 -152.25 5.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.463 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.509 ' NE2' ' CD1' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -103.03 157.04 17.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.818 0.342 . . . . 0.0 110.98 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 40.2 t -122.1 135.73 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.509 ' CD1' ' NE2' ' A' ' 33' ' ' GLN . 4.0 mp -124.42 128.06 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.841 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 28.7 tp -112.72 114.4 26.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.499 ' HB2' ' CD1' ' A' ' 40' ' ' TYR . 13.6 mmtp -110.58 159.09 17.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.3 t -67.24 96.14 0.46 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.14 -19.04 23.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.499 ' CD1' ' HB2' ' A' ' 37' ' ' LYS . 18.2 p90 -157.01 175.01 14.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.883 0.373 . . . . 0.0 110.951 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.09 144.53 21.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -109.51 146.08 35.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.2 m -135.62 140.85 43.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -91.87 121.94 33.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 3' ' ' ASN . 15.2 p90 -102.23 145.35 30.35 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.674 0.749 . . . . 0.0 110.925 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -48.83 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.648 2.232 . . . . 0.0 112.378 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -142.91 163.52 32.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -58.35 -36.4 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -61.94 -44.38 96.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.808 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.529 ' CH2' HD23 ' A' ' 30' ' ' LEU . 41.3 t90 -62.19 -43.58 98.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.84 -50.72 72.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 46.3 mt -61.35 -45.04 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.195 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.2 ttm-85 -68.26 -34.24 75.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.02 66.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.8 mt -64.24 -48.05 87.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.08 -37.7 88.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.8 -25.91 37.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.567 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 68.9 mt -104.27 -72.7 0.7 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.5 t -51.7 124.1 11.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.98 4.98 88.99 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -129.3 -30.27 2.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.838 0.351 . . . . 0.0 110.957 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.689 HG21 HD11 ' A' ' 22' ' ' LEU . 13.5 p -118.42 143.74 28.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.925 ' HB3' HD13 ' A' ' 68' ' ' ILE . 23.6 pm0 -132.15 145.02 51.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.481 HD23 ' CG2' ' A' ' 14' ' ' VAL . 6.8 tp -115.46 128.45 56.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.416 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 10.3 m-70 63.86 26.67 14.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.06 -7.3 81.82 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.451 ' HB3' ' ND2' ' A' ' 9' ' ' ASN . 41.2 mttm -105.13 130.42 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.925 HD13 ' HB3' ' A' ' 63' ' ' GLU . 8.0 mm -68.01 130.05 32.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.548 ' SD ' HG13 ' A' ' 62' ' ' VAL . 9.1 ptm -90.86 136.02 33.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -112.86 126.61 55.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.462 ' CG1' HG12 ' A' ' 55' ' ' ILE . 61.6 t -111.76 126.39 69.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.107 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.9 t70 -153.66 144.1 22.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.986 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 72' ' ' ASP . 6.6 m-85 -34.49 144.63 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.4 t -69.87 -46.38 65.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.4 m -50.28 141.1 3.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.192 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.1 t -99.98 -56.92 2.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 mtmp? -51.29 176.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -104.31 -51.03 3.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.06 143.89 11.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -66.05 89.61 0.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 80.7 p -88.92 126.83 35.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.7 t -71.88 -48.67 44.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 167.48 156.19 9.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -43.3 2.76 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.669 2.246 . . . . 0.0 112.312 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.1 t 61.6 42.27 11.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.8 p -44.91 127.63 6.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 40.4 t -40.9 129.02 2.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.82 0.343 . . . . 0.0 110.826 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 55.0 m -125.66 -44.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 160.05 -97.39 0.16 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 43.6 t -47.57 147.32 1.82 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.815 0.341 . . . . 0.0 110.894 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.5 t -59.18 -51.27 70.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 88.75 135.04 5.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.47 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.4 ttm -45.04 117.58 1.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 0.7 OUTLIER -117.16 108.83 16.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -145.45 163.2 35.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.959 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.1 mt -110.73 141.31 44.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.861 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.442 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 2.8 t80 -98.32 129.14 45.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 51.1 mt -110.88 123.02 66.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.19 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.53 161.26 12.8 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.514 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 73.08 46.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.781 0.324 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -106.84 113.61 27.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -44.83 147.82 1.05 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.657 0.741 . . . . 0.0 110.825 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -1.33 8.32 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.653 2.235 . . . . 0.0 112.327 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.55 -18.91 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 82.6 t -57.39 140.63 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.4 p -119.48 158.36 26.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.8 -33.53 64.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.161 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.5 -40.39 92.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.793 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.13 -41.56 81.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.83 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.5 mt -60.34 -47.52 85.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -65.49 -41.81 92.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -34.69 77.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.957 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.58 HD21 ' SD ' ' A' ' 69' ' ' MET . 31.4 tp -64.18 -48.93 74.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.615 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.4 m-85 -60.96 -44.84 96.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.75 -35.18 91.57 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.01 -32.99 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.847 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.15 19.9 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? 63.2 25.83 14.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.8 mt -115.94 78.71 7.58 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.603 0.715 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 113.53 3.4 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 23' ' ' PHE . 4.9 mt -65.12 119.82 11.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.62 19.41 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.051 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -138.21 -144.38 4.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.55 163.26 14.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.9 t -122.16 144.49 31.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.06 135.88 49.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 49.7 tp -113.59 114.36 26.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 19.9 mmmt -110.46 158.35 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 32.6 t -69.16 86.9 0.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.6 -11.02 18.89 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.5 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 2.7 p90 -157.07 177.99 10.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.907 0.384 . . . . 0.0 110.908 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.51 144.85 22.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.037 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -109.5 146.07 35.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 13.1 m -140.21 140.83 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.056 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -92.24 124.32 36.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 3' ' ' ASN . 31.0 p90 -102.66 146.71 32.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.678 0.751 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.0 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.353 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -142.89 163.85 31.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -57.8 -36.59 72.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.8 m-20 -62.03 -45.66 92.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.3 t90 -61.21 -42.07 97.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -49.69 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.158 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.2 mt -60.52 -42.52 91.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -69.77 -39.96 76.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.28 -45.23 81.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' SER . 31.1 mt -61.84 -47.7 92.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -62.69 -38.31 89.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.5 m -79.26 -23.53 43.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.157 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.615 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 72.9 mt -101.16 -72.07 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.0 t -55.02 117.42 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.36 -10.79 62.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.68 5.85 7.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.595 HG21 HD23 ' A' ' 58' ' ' LEU . 54.9 t -148.02 133.67 11.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.702 ' HB3' HD13 ' A' ' 68' ' ' ILE . 2.0 pm0 -132.18 148.0 52.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.0 tp -127.89 137.16 52.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.953 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.2 m-70 59.83 31.62 20.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.52 10.77 84.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.495 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.4 mttm -122.27 132.3 54.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.808 0.337 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' A' ' 63' ' ' GLU . 15.3 mm -67.94 127.34 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.58 ' SD ' HD21 ' A' ' 22' ' ' LEU . 7.4 ptm -87.35 131.94 34.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.915 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -108.97 123.01 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.76 128.32 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -150.82 154.02 36.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -50.28 163.92 0.14 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.6 t -111.89 94.72 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 76' ' ' SER . 27.2 m -117.1 33.97 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' VAL . 10.4 t -34.55 -53.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.09 91.28 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 21.5 mtpt -90.51 60.4 4.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 tt -96.14 92.55 6.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.966 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.2 ttp180 -130.1 76.34 1.72 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 82' ' ' SER . 36.5 t -124.32 151.95 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.828 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 81' ' ' SER . 22.7 t -35.48 -43.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.867 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 164.17 167.41 24.64 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 -43.19 2.7 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.688 2.259 . . . . 0.0 112.293 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.4 m 57.7 42.15 24.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.825 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.9 t -119.21 -44.39 2.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.534 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.235 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 74.7 m -122.24 103.39 8.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.837 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.3 m -54.51 108.08 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 102.29 131.47 7.36 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 71.0 m -94.97 106.67 18.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.877 0.37 . . . . 0.0 110.848 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 1.6 t -111.11 111.18 22.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 136.59 126.65 2.56 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.8 mmt 58.92 38.81 24.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.878 0.371 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 4.4 p30 -54.54 107.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.2 mttp -146.44 166.96 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.428 HD22 HD11 ' A' ' 55' ' ' ILE . 9.9 mt -113.3 142.99 45.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -95.49 127.04 41.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.48 HG12 HG13 ' A' ' 71' ' ' VAL . 26.2 mt -111.18 122.1 65.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.194 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.87 168.22 12.51 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 70.83 41.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.6 mt -96.96 128.18 43.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 m -66.08 150.32 96.84 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.579 0.704 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -5.25 15.76 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.727 2.284 . . . . 0.0 112.339 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.2 -14.66 21.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.093 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.575 ' CG2' HD23 ' A' ' 64' ' ' LEU . 86.2 t -67.86 137.73 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.066 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.3 p -122.12 163.24 19.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.6 -39.82 65.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -61.7 -40.38 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.74 -41.53 87.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.1 mt -59.08 -47.49 85.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 12.2 ptm180 -66.0 -42.35 89.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 35.4 mm-40 -63.8 -33.29 75.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.436 HD21 ' SD ' ' A' ' 69' ' ' MET . 55.1 tp -68.22 -49.53 60.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.443 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.7 m-85 -64.1 -45.08 90.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.05 -34.41 88.27 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.416 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -65.23 -31.3 72.39 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.685 0.278 . . . . 0.0 110.78 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.73 19.89 3.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.823 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' N ' ' HE2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER 62.42 26.66 15.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.59 80.77 31.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 0.0 110.939 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 135.9 31.67 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.7 2.267 . . . . 0.0 112.335 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD13 ' CG2' ' A' ' 34' ' ' VAL . 8.7 mt -85.92 105.65 16.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 35.11 0.67 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.28 -146.04 4.25 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -106.22 154.3 20.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.43 ' CG2' HD13 ' A' ' 30' ' ' LEU . 51.1 t -122.02 135.74 61.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.062 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.9 mp -128.72 127.46 42.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.0 tp -112.83 114.89 27.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 38.2 mmtt -110.12 158.29 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.1 m -67.03 94.99 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 112.58 -18.84 22.3 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.404 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 15.9 p90 -155.93 177.92 10.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.935 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.98 153.18 27.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.169 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -120.13 138.26 53.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.3 m -131.57 140.99 46.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -94.55 122.37 37.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 3' ' ' ASN . 13.1 p90 -95.52 146.84 32.03 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.726 0.774 . . . . 0.0 110.87 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.408 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.4 Cg_endo -69.82 -47.92 0.81 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.742 2.295 . . . . 0.0 112.291 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -140.05 169.08 18.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.832 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' HG2' HD11 ' A' ' 52' ' ' ILE . 44.4 tt0 -67.12 -38.42 85.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -62.5 -43.54 98.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.408 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 33.2 t90 -65.4 -42.24 92.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.08 -50.11 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.403 HD11 ' HG2' ' A' ' 48' ' ' GLN . 58.8 mt -58.74 -44.98 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -70.0 -38.67 76.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.53 -46.87 77.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.062 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.454 HG23 ' HB ' ' A' ' 71' ' ' VAL . 64.8 mt -64.37 -47.81 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.78 -37.19 85.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.1 m -80.99 -27.89 35.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.128 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.655 HD23 HG21 ' A' ' 62' ' ' VAL . 72.3 mt -90.78 -71.7 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -57.06 122.75 13.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.4 -7.65 63.92 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -129.98 4.52 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.853 0.358 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.655 HG21 HD23 ' A' ' 58' ' ' LEU . 54.7 t -145.03 135.06 18.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.148 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' CB ' HD13 ' A' ' 68' ' ' ILE . 1.9 pt-20 -131.39 140.04 49.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.575 HD23 ' CG2' ' A' ' 14' ' ' VAL . 9.4 tp -119.72 132.7 55.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 61.45 44.12 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 63.98 11.25 43.71 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -122.61 135.71 54.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.708 0.289 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.478 HD13 ' CB ' ' A' ' 63' ' ' GLU . 20.1 mm -71.59 128.34 34.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.091 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.436 ' SD ' HD21 ' A' ' 22' ' ' LEU . 5.6 ptm -89.88 136.36 33.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.946 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -113.15 127.86 56.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.905 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.48 HG13 HG12 ' A' ' 7' ' ' ILE . 4.7 t -121.51 134.48 64.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.132 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -150.93 144.99 25.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -45.11 147.14 0.75 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.929 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.9 m -96.18 56.22 1.61 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.2 m -124.79 -14.21 5.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 10.3 m -63.66 -43.19 97.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.0 ttpt 62.51 37.58 13.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -54.71 -48.78 72.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 tp -57.42 108.03 0.5 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -145.43 125.98 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 34.4 t -90.67 136.33 33.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.838 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.9 t -117.61 176.84 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -136.89 146.18 18.09 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.421 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 117.86 5.34 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 t -116.75 102.46 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.7 m -153.49 133.25 13.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 28.5 t -87.52 114.66 24.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 30.0 p -167.53 150.75 6.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.897 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -172.74 -154.56 10.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 82.5 p -110.36 162.42 14.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 69.0 m -140.64 140.79 35.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 133.06 -146.12 18.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.7 mtm -112.05 146.05 38.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.792 0.33 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -145.04 175.44 10.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.3 mttm -145.81 166.67 25.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.98 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.9 mt -110.16 133.9 52.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.935 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.503 ' C ' ' CD1' ' A' ' 6' ' ' TYR . 0.7 OUTLIER -94.07 130.42 40.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.7 mt -111.24 122.17 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.159 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.26 162.86 12.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 72.3 40.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.842 0.354 . . . . 0.0 110.893 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 10' ' ' LEU . 23.6 mt -93.89 121.12 35.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.53 ' HB2' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -51.81 149.78 8.27 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.636 0.731 . . . . 0.0 110.87 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 0.56 5.43 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.665 2.243 . . . . 0.0 112.356 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.15 -16.95 13.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.53 HG23 ' HB2' ' A' ' 11' ' ' SER . 95.5 t -57.46 130.67 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.131 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.2 p -117.44 158.32 24.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.62 -38.7 64.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.07 -42.58 98.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.779 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.63 -39.33 93.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.3 mt -60.14 -47.5 85.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -62.69 -44.3 96.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.917 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -66.33 -39.06 88.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' CD2' ' CE ' ' A' ' 69' ' ' MET . 21.1 tp -61.81 -47.2 86.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' CD2' HD21 ' A' ' 30' ' ' LEU . 6.0 m-85 -63.58 -44.31 94.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -62.32 -35.22 91.32 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -63.87 -32.1 73.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.851 0.358 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -90.2 18.07 6.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 42.18 20.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.905 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' ' 54' ' ' ALA . 13.3 mt -132.69 80.85 60.63 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.542 0.687 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.7 129.0 16.89 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.701 2.267 . . . . 0.0 112.375 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.592 HD13 ' CG2' ' A' ' 34' ' ' VAL . 12.7 mt -77.45 101.42 6.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.96 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' ' 46' ' ' PRO . . . -83.0 38.52 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.4 -143.48 3.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.489 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -108.5 154.21 22.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.832 0.349 . . . . 0.0 110.935 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.592 ' CG2' HD13 ' A' ' 30' ' ' LEU . 31.7 t -122.04 135.45 62.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.95 128.14 43.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.957 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -112.76 114.83 27.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 21.7 mmtm -110.2 158.81 17.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.0 m -67.31 94.74 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.26 -18.29 21.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.431 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.8 p90 -156.61 176.57 12.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.905 0.383 . . . . 0.0 110.936 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.3 148.3 24.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.151 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -114.24 145.27 41.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.0 m -140.93 141.0 32.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -93.27 124.98 37.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -96.17 144.12 27.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.657 0.741 . . . . 0.0 110.896 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.535 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 54.4 Cg_endo -69.69 -47.02 1.04 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.671 2.247 . . . . 0.0 112.361 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -139.7 165.66 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -64.54 -39.99 94.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -62.59 -45.41 93.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.535 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.9 t90 -61.84 -41.98 98.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.931 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.26 93.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.096 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.7 mt -65.3 -45.06 94.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -69.94 -38.5 76.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.805 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' ' 28' ' ' LEU . . . -65.81 -45.83 80.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' SER . 38.6 mt -62.84 -47.62 91.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -62.73 -37.93 88.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.9 m -80.05 -26.38 39.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 62' ' ' VAL . 78.5 mt -96.71 -69.07 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' ILE . 33.4 t -57.48 112.96 1.58 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.79 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.62 -0.71 85.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.51 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -132.41 5.94 4.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' CG1' ' SD ' ' A' ' 69' ' ' MET . 75.5 t -147.02 133.79 13.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.8 148.84 50.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.8 tp -130.05 133.52 46.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.809 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 61.04 25.25 15.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.22 2.47 89.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -110.86 136.36 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.734 0.302 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.9 mm -72.45 125.59 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.116 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.49 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 7.2 ptm -88.3 134.23 33.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -113.64 136.65 52.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.6 t -132.4 131.28 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -155.2 153.6 30.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.814 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -46.76 126.94 9.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.6 p -65.26 81.75 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.7 m -136.56 167.5 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.104 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.8 m -122.68 86.63 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.9 mtmm -69.01 -51.56 37.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.484 ' HG3' HD12 ' A' ' 79' ' ' LEU . 6.7 tptm -54.46 160.58 1.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.484 HD12 ' HG3' ' A' ' 78' ' ' LYS . 6.6 mp 49.78 53.68 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 41.4 mtm180 -55.92 140.77 41.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.815 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.5 t -72.57 95.22 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.4 m -142.34 137.37 30.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.834 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 171.17 77.39 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 -177.89 2.12 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 52.7 p -93.9 116.56 29.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.7 m -148.07 114.3 5.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.847 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.544 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 60.2 p 38.36 41.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 6.6 t -104.71 146.29 29.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' -1' ' ' SER . . . -77.95 72.64 2.23 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.468 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 0' ' ' SER . 1.9 m -37.8 125.87 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.881 0.372 . . . . 0.0 110.866 -179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' -1' ' ' SER . 25.7 m -36.16 142.44 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 108.06 166.96 21.41 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.503 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.11 170.98 5.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.717 0.294 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -112.59 113.84 26.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.3 mttt -136.63 167.04 22.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.4 mt -113.22 145.1 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 1.1 t80 -94.88 129.58 41.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.6 mt -110.41 120.21 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.84 167.82 12.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.533 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t30 69.22 35.58 2.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.935 0.398 . . . . 0.0 110.931 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -96.17 121.12 37.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.567 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.0 OUTLIER -50.43 143.66 13.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.617 0.723 . . . . 0.0 110.883 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -1.35 8.35 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.641 2.227 . . . . 0.0 112.374 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.11 -14.49 15.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.567 HG23 ' HB3' ' A' ' 11' ' ' SER . 76.6 t -56.6 151.08 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.6 p -129.08 155.0 46.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.98 -36.52 60.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -63.85 -41.05 97.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -66.69 -41.01 88.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -59.04 -47.55 84.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 53.0 mtp180 -63.93 -44.79 91.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -40.17 94.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.63 HD11 HG21 ' A' ' 62' ' ' VAL . 26.6 tp -60.94 -48.85 79.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.694 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 12.0 m-85 -64.48 -38.27 90.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.48 -40.81 67.69 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.535 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -66.88 -23.55 66.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 51.3 mmt-85 -92.47 18.78 8.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.878 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm 60.55 36.09 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 ' CD1' ' HG ' ' A' ' 58' ' ' LEU . 23.5 mt -131.99 81.14 63.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.576 0.703 . . . . 0.0 110.911 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 129.8 18.17 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.746 2.297 . . . . 0.0 112.303 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.446 HD21 ' CD2' ' A' ' 23' ' ' PHE . 8.2 mt -85.13 104.36 14.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.58 36.28 0.75 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -150.46 -153.69 6.21 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.512 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 4.1 tp-100 -96.76 152.09 19.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.895 0.379 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 88.3 t -122.24 134.7 64.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' O ' ' HB1' ' A' ' 41' ' ' ALA . 2.9 mp -128.82 131.41 47.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.0 tp -116.74 114.72 24.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 23.3 mmtp -110.26 158.93 17.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.912 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.4 m -67.42 94.62 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.788 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 111.87 -17.41 25.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.418 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 20.1 p90 -156.38 178.03 10.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.941 0.4 . . . . 0.0 110.904 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 35' ' ' LEU . . . -156.22 155.94 33.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -121.61 135.61 54.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.1 m -130.26 140.95 47.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.196 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -93.52 122.01 35.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.858 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -95.65 144.33 27.63 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.649 0.738 . . . . 0.0 110.953 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -46.22 1.28 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.644 2.23 . . . . 0.0 112.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -143.71 162.19 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -59.7 -38.41 81.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -62.19 -41.5 98.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -65.76 -41.95 91.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.33 77.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 45.6 mt -63.1 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -70.06 -29.33 66.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.02 -45.88 55.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.574 HG23 ' HB3' ' A' ' 59' ' ' SER . 24.1 mt -62.73 -47.99 90.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -62.97 -41.79 99.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 34.4 m -75.9 -27.1 57.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.694 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 91.2 mt -103.84 -75.05 0.62 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.574 ' HB3' HG23 ' A' ' 55' ' ' ILE . 39.0 t -55.71 124.6 17.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.821 -179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.25 -3.75 70.68 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.516 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 16.2 mmtm -124.3 -16.22 6.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.63 HG21 HD11 ' A' ' 22' ' ' LEU . 4.4 p -136.08 143.12 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.899 ' HB3' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -128.98 146.79 50.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.9 tp -121.5 133.76 55.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 63.92 25.03 13.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.82 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 86.33 -2.3 87.48 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.436 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.431 ' C ' ' HB2' ' A' ' 63' ' ' GLU . 25.6 mtpp -112.94 134.76 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.801 0.334 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.899 HD13 ' HB3' ' A' ' 63' ' ' GLU . 15.6 mm -68.79 130.02 33.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.5 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 4.1 ptm -84.51 138.29 32.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -117.17 123.69 47.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.1 t -118.56 130.22 73.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.5 t70 -155.6 140.07 16.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 72' ' ' ASP . 91.0 m-85 -36.2 132.67 0.53 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 59.8 p -85.04 48.11 1.51 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.0 m -109.7 127.21 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.152 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 t -164.4 154.02 13.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -102.52 135.46 44.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -111.66 -51.45 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 53.9 tp -124.62 148.39 47.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -80.23 122.44 26.86 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.8 m -45.84 120.86 2.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.9 t -134.47 125.14 26.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -141.6 83.64 0.22 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 158.66 56.18 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.724 2.282 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 89.9 p -117.82 -49.88 2.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.922 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.0 p -66.1 -58.53 5.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.528 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 58.0 m -64.89 164.27 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 90.9 p -118.04 139.19 51.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 164.6 102.32 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 5.0 m -106.03 42.48 1.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.828 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 97.4 p 41.28 40.3 1.17 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -138.82 -123.12 2.09 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 7.4 ptt? -166.15 132.89 2.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -105.62 -178.2 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 36.7 mttp -134.84 163.96 28.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 16.8 mt -110.15 138.98 45.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -94.47 122.99 37.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 mt -102.98 122.03 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.41 168.86 12.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.512 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 68.22 46.39 1.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.5 mt -108.25 109.74 21.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.1 p -47.77 154.92 0.87 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.66 0.743 . . . . 0.0 110.823 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -2.95 11.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.626 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -100.66 -13.62 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.027 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.474 HG13 HD21 ' A' ' 64' ' ' LEU . 57.7 t -58.47 144.3 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 p -128.64 155.52 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.656 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -55.33 -40.19 70.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.71 -40.67 88.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.799 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.12 -41.08 91.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.3 mt -62.95 -47.44 83.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -62.5 -45.05 94.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -67.96 -31.67 71.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.827 HD11 ' CG2' ' A' ' 62' ' ' VAL . 16.3 tp -64.26 -48.86 74.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CD2' HD21 ' A' ' 30' ' ' LEU . 11.4 m-85 -64.96 -40.73 95.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.36 -35.76 91.47 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -60.03 -38.13 81.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.71 19.43 2.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.87 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp 59.75 39.25 21.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 mt -121.47 80.15 38.03 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.58 0.705 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 110.05 2.47 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.75 2.3 . . . . 0.0 112.328 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.583 HD21 ' CD2' ' A' ' 23' ' ' PHE . 13.4 mt -66.47 100.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.63 37.29 0.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -151.2 -154.78 6.67 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 34' ' ' VAL . 25.5 tp60 -97.83 152.3 19.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 33' ' ' GLN . 46.2 t -122.14 136.42 59.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.13 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 mp -128.95 130.69 47.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.656 HD22 ' N ' ' A' ' 16' ' ' ALA . 53.6 tp -110.54 114.88 28.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 31.5 mmtm -110.22 158.03 18.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 45.7 t -68.0 90.73 0.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 113.69 -15.03 22.05 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 7.1 p90 -156.35 178.13 10.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.39 . . . . 0.0 110.91 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.11 151.16 27.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -117.1 128.5 55.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 15.3 m -126.24 140.91 47.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.85 123.16 34.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -98.87 145.27 29.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.633 0.73 . . . . 0.0 110.984 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -42.46 3.4 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.661 2.241 . . . . 0.0 112.372 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -149.1 160.0 43.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -58.84 -36.69 74.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -62.09 -45.96 91.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 38.6 t90 -60.85 -42.44 97.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.97 -47.77 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 49.7 mt -60.84 -45.05 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 -69.44 -35.04 75.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.36 -44.75 70.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.492 ' O ' ' N ' ' A' ' 59' ' ' SER . 22.6 mt -62.99 -47.91 90.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -62.94 -39.17 93.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.952 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 3.4 m -80.24 -22.02 42.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.526 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 66.6 mt -102.43 -70.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.5 t -51.0 122.01 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.476 ' HA2' HG21 ' A' ' 68' ' ' ILE . . . 78.91 -14.03 15.86 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -107.11 -10.63 15.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.869 0.366 . . . . 0.0 110.947 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.827 ' CG2' HD11 ' A' ' 22' ' ' LEU . 9.2 p -129.92 128.4 64.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -111.53 129.82 55.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.873 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.474 HD21 HG13 ' A' ' 14' ' ' VAL . 12.9 tp -118.85 119.69 35.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.626 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 6.6 m-70 64.0 36.29 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.44 -1.83 59.8 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.443 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -116.55 128.88 55.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.774 0.321 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.476 HG21 ' HA2' ' A' ' 60' ' ' GLY . 15.7 mm -67.82 130.09 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.529 ' SD ' HG11 ' A' ' 62' ' ' VAL . 10.3 ptm -87.98 138.25 31.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -113.43 123.44 50.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.8 t -111.43 126.05 68.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -154.44 141.46 19.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.433 ' C ' ' O ' ' A' ' 72' ' ' ASP . 7.6 m-85 -35.42 148.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.8 t -100.31 42.37 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.74 163.72 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 28.8 p -143.53 175.66 9.78 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.809 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? -166.89 128.83 1.71 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.83 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -141.0 140.64 34.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 mt -149.49 166.42 29.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.916 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 24.9 ptt-85 -149.74 139.3 21.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.2 p -173.54 137.17 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.6 t -133.71 131.75 39.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -87.12 156.87 28.83 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.537 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -49.94 0.5 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.687 2.258 . . . . 0.0 112.283 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.2 t -88.79 132.91 34.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.822 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.3 t -98.8 -45.57 5.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.401 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.528 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 74.0 m -50.05 125.92 13.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.922 0.392 . . . . 0.0 110.862 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 2.1 t -72.45 144.82 47.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -64.95 -163.95 0.88 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 86.8 p -157.5 115.63 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.791 0.329 . . . . 0.0 110.891 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 93.3 p -79.02 160.12 27.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 158.48 -146.96 14.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.478 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 28.3 mtt -77.0 102.26 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.796 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -152.47 171.49 18.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -142.73 166.08 25.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.981 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 14.8 mt -110.0 137.89 47.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -94.12 124.86 38.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.454 HG23 HG22 ' A' ' 71' ' ' VAL . 5.2 mt -109.73 120.77 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.091 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.01 168.53 12.58 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.493 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.7 t30 68.72 43.66 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.876 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 81.8 mt -104.08 118.44 36.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.1 t -48.45 143.65 7.25 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.862 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 2.8 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.713 2.275 . . . . 0.0 112.337 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 65' ' ' HIS . . . -106.44 -15.75 14.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.093 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.594 HG21 HD23 ' A' ' 64' ' ' LEU . 54.3 t -67.65 146.22 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 p -126.47 174.14 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.71 -35.07 75.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.6 -41.8 95.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -68.43 -42.89 78.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.2 mt -62.13 -47.54 84.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 11.8 ptm180 -66.15 -41.04 90.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.6 tt0 -68.09 -35.44 78.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.935 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.718 HD21 HG11 ' A' ' 62' ' ' VAL . 29.1 tp -63.89 -49.87 70.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.592 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 10.8 m-85 -63.96 -40.27 96.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.83 -36.74 93.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.51 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -59.24 -33.42 71.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.777 0.323 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.02 19.02 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt 59.47 42.44 17.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' HB3' ' CZ2' ' A' ' 50' ' ' TRP . 16.9 mt -124.59 76.51 63.6 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.955 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 109.33 2.27 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.724 2.282 . . . . 0.0 112.391 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.598 HD13 ' CG2' ' A' ' 34' ' ' VAL . 6.7 mt -57.4 100.24 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.981 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.21 41.11 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -154.54 -130.84 1.43 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -119.0 151.43 38.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.598 ' CG2' HD13 ' A' ' 30' ' ' LEU . 46.5 t -122.06 135.96 60.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.03 132.38 47.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -117.82 114.96 24.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 24.5 mmtp -110.1 158.95 17.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.7 m -68.31 90.29 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.49 -14.88 17.78 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.0 p90 -155.83 177.34 11.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.937 0.399 . . . . 0.0 110.924 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.82 151.47 23.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.067 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.34 137.82 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 11.8 m -132.48 140.98 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -91.72 121.98 33.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 p90 -92.09 143.66 27.94 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.72 0.771 . . . . 0.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.549 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.75 -49.95 0.51 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.66 2.24 . . . . 0.0 112.414 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -139.64 167.5 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -62.83 -38.71 91.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -64.26 -42.79 96.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.549 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 36.8 t90 -62.88 -42.78 99.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.58 -44.69 93.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.6 mt -65.53 -44.05 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 14.8 tpp85 -69.67 -38.08 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -47.01 62.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' SER . 28.8 mt -62.4 -48.12 89.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -61.56 -40.46 94.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.9 m -79.23 -22.56 44.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.623 HD23 HG21 ' A' ' 62' ' ' VAL . 87.4 mt -99.86 -70.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 55' ' ' ILE . 23.0 t -56.49 115.74 2.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.67 -4.47 78.77 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.457 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.6 mmmt -126.53 8.8 7.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.932 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.718 HG11 HD21 ' A' ' 22' ' ' LEU . 87.4 t -147.36 130.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.139 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -110.06 146.84 34.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 14' ' ' VAL . 10.0 tp -137.2 119.94 16.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 13' ' ' ALA . 33.5 m-70 62.54 25.91 15.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 89.64 -13.07 65.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.7 mttt -104.61 131.71 51.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.331 . . . . 0.0 110.817 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.6 mm -68.01 129.99 32.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.099 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 8.6 ptm -83.01 132.73 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -113.74 125.73 54.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.466 ' CG1' HG12 ' A' ' 55' ' ' ILE . 21.3 t -118.6 127.46 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' TYR . 1.1 m-20 -150.3 136.82 18.96 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' ASP . 34.2 m-85 -34.54 136.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 48.2 t -94.96 41.34 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.04 39.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.15 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.9 t -44.26 -58.57 2.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.88 113.62 25.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.7 mtpt -123.43 87.68 2.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.415 ' HG ' ' N ' ' A' ' 80' ' ' ARG . 6.7 tp -167.53 147.39 5.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.415 ' N ' ' HG ' ' A' ' 79' ' ' LEU . 7.1 tmm_? -149.22 126.69 11.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.0 p -165.33 122.14 1.47 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.0 t -56.31 146.55 23.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -38.44 144.98 0.19 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -11.76 31.52 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.686 2.257 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.9 t 50.71 35.54 12.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.2 m -130.36 127.8 40.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.837 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.482 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 62.9 m -91.56 130.52 37.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.817 0.341 . . . . 0.0 110.915 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 23.9 m -84.89 87.62 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 132.22 71.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 79.9 p -130.83 106.16 8.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.823 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 93.9 p -170.88 167.33 7.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 128.46 -88.69 0.32 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.532 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.06 45.91 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -98.97 -179.14 4.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -146.78 166.34 26.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.584 HD22 HD11 ' A' ' 55' ' ' ILE . 10.8 mt -110.01 131.74 54.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.984 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -94.04 127.46 39.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 16.8 mt -109.17 122.0 63.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.52 162.97 12.23 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 45.04 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.877 0.37 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.3 mt -101.59 116.29 32.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.566 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.4 t -46.47 143.27 4.02 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.721 0.772 . . . . 0.0 110.864 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 0.29 5.81 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.66 2.24 . . . . 0.0 112.375 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.87 -18.09 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.566 HG23 ' HB3' ' A' ' 11' ' ' SER . 71.3 t -60.32 158.47 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.511 ' N ' HG12 ' A' ' 14' ' ' VAL . 75.8 p -140.68 161.41 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.33 -31.4 33.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.33 -42.19 96.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -68.08 -38.91 82.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' HA ' HD23 ' A' ' 19' ' ' LEU . 10.2 mt -62.78 -47.55 83.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.9 mtt180 -63.94 -44.08 93.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -68.29 -31.17 70.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.914 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.697 HD21 HG11 ' A' ' 62' ' ' VAL . 28.3 tp -64.46 -49.97 69.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.489 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 9.8 m-85 -66.41 -42.33 87.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.01 -36.54 93.61 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -63.43 -34.03 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.76 0.314 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -85.41 19.29 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm 59.62 38.12 22.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.9 mt -131.19 80.66 68.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.551 0.691 . . . . 0.0 110.932 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 126.52 13.42 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.638 2.226 . . . . 0.0 112.373 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.9 mt -74.87 110.77 9.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.32 29.67 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -144.19 -142.18 3.87 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -109.34 157.59 18.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.802 0.334 . . . . 0.0 110.934 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 39.1 t -122.04 135.57 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.67 128.88 46.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' C ' ' HD2' ' A' ' 37' ' ' LYS . 17.1 tp -119.14 114.4 22.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' HD2' ' C ' ' A' ' 36' ' ' LEU . 2.8 mptt -106.92 162.36 13.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 69.3 p -69.21 89.76 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.18 -14.11 13.75 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.498 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.435 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.7 p90 -156.87 178.04 10.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.915 0.388 . . . . 0.0 110.982 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.25 146.81 15.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.04 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -116.72 146.07 43.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.8 m -135.12 140.89 44.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.152 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -89.65 128.02 36.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.457 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 29.3 p90 -99.19 144.08 27.58 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.624 0.726 . . . . 0.0 110.97 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.578 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.6 Cg_endo -69.75 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -136.17 174.58 10.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -70.09 -40.55 74.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -63.2 -45.45 91.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.578 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 28.8 t90 -63.07 -42.06 99.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -62.73 -50.94 69.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.106 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 55.3 mt -61.5 -44.96 99.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -68.56 -37.39 79.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.27 -47.08 77.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.584 HD11 HD22 ' A' ' 5' ' ' LEU . 37.4 mt -63.09 -48.1 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -60.33 -36.5 78.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 54.5 m -80.04 -27.0 39.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.643 HD23 HG21 ' A' ' 62' ' ' VAL . 44.0 mt -97.49 -68.74 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 55' ' ' ILE . 8.3 t -53.65 108.69 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.13 -18.32 57.05 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 30.5 mttm -118.7 17.52 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.827 0.346 . . . . 0.0 110.914 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.697 HG11 HD21 ' A' ' 22' ' ' LEU . 30.9 t -146.4 134.35 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -126.41 130.99 51.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 64' ' ' LEU . 8.5 tp -118.54 120.68 38.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 63.68 28.16 14.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.812 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 84.33 1.28 89.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.501 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.9 mttt -113.84 127.87 56.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.75 0.309 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.1 mm -67.99 129.2 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.453 ' SD ' HD21 ' A' ' 22' ' ' LEU . 9.8 ptm -88.46 137.87 31.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -115.09 125.88 54.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.424 ' CG1' HG12 ' A' ' 55' ' ' ILE . 3.7 t -121.35 127.51 75.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -150.5 144.38 25.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -39.15 123.69 1.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 99.9 p -73.39 84.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 t -121.24 147.69 24.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 21.6 t -116.67 -50.62 2.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -171.83 132.78 0.72 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -97.92 85.07 3.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.934 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -146.63 158.23 43.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.0 tpm_? -163.19 113.76 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -121.66 153.6 37.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.7 t -116.18 130.87 57.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.841 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -108.32 -173.04 21.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.515 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 178.9 4.1 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.653 2.236 . . . . 0.0 112.396 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 30.8 p -121.53 146.89 46.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.4 t -92.78 -47.16 7.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.483 179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 90.5 p -96.76 127.66 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 4.2 m -92.16 150.96 20.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.796 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 52.36 57.34 13.79 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 94.7 p -46.17 141.92 3.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.85 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 3.3 m -92.24 165.77 12.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 146.75 -152.54 24.67 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -140.59 143.79 35.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.749 0.309 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -135.45 -178.47 5.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -142.85 165.53 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 17.3 mt -110.06 135.64 50.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.13 128.75 40.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.0 mt -107.58 123.74 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.9 170.96 13.54 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.507 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 68' ' ' ILE . 2.6 t30 65.93 41.51 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.875 0.369 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -104.8 138.18 41.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.54 ' OG ' HG23 ' A' ' 14' ' ' VAL . 9.4 p -80.04 153.75 74.9 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.716 0.77 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -15.44 37.18 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.647 2.231 . . . . 0.0 112.411 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -79.86 -18.81 49.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG23 ' OG ' ' A' ' 11' ' ' SER . 48.2 t -65.4 146.59 13.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.3 p -126.69 159.44 33.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.53 -39.28 64.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.128 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -63.26 -41.13 99.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -63.17 -42.65 99.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.6 mt -59.95 -47.58 85.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -67.61 -39.12 84.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.69 -31.24 69.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.731 HD21 HG11 ' A' ' 62' ' ' VAL . 22.3 tp -70.13 -45.51 66.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.644 ' CD2' HD21 ' A' ' 30' ' ' LEU . 11.2 m-85 -66.25 -37.82 86.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.36 -39.13 87.72 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.94 -23.87 66.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HG3' ' CD2' ' A' ' 58' ' ' LEU . 1.3 mmp_? -91.26 19.57 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.7 mptp? 58.85 26.7 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -126.3 76.12 72.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.611 0.72 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 152.2 69.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.637 2.224 . . . . 0.0 112.391 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD21 ' CD2' ' A' ' 23' ' ' PHE . 4.1 mt -103.92 131.65 50.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.3 26.2 9.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.424 ' HA3' ' CG ' ' A' ' 44' ' ' ASP . . . -139.11 -139.59 3.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.507 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -112.17 155.48 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 58.7 t -122.12 136.27 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.8 mp -129.09 136.09 49.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -117.49 114.73 23.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.506 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.4 mmmp? -110.3 157.6 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.5 p -67.0 93.17 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.72 -18.94 16.63 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.506 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 8.4 p90 -156.1 176.69 12.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.388 . . . . 0.0 110.94 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.92 151.39 30.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -117.0 128.9 55.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.63 140.99 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' C ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 t0 -86.87 125.27 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.848 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' C ' ' CD1' ' A' ' 45' ' ' TYR . 2.6 p90 -102.25 143.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.698 0.761 . . . . 0.0 110.891 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.83 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.664 2.242 . . . . 0.0 112.341 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.31 164.3 30.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -60.43 -38.33 83.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -62.0 -44.92 95.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -61.25 -42.05 97.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.948 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.96 -45.99 92.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 40.5 mt -65.0 -44.94 95.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -69.38 -30.24 68.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.87 -43.43 62.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 59' ' ' SER . 25.0 mt -64.9 -48.13 85.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -41.49 99.35 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.473 ' O ' ' CD ' ' A' ' 61' ' ' LYS . 96.0 m -76.81 -29.1 55.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.144 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 62' ' ' VAL . 68.7 mt -100.18 -73.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.957 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.9 p -51.04 128.92 22.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.44 -10.63 35.62 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CD ' ' O ' ' A' ' 57' ' ' THR . 4.8 ttmm -121.73 -14.31 8.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.731 HG11 HD21 ' A' ' 22' ' ' LEU . 38.7 t -117.69 131.47 70.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.148 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.504 ' HB2' HD13 ' A' ' 68' ' ' ILE . 29.5 tt0 -122.74 133.09 54.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 64' ' ' LEU . 7.0 tp -119.62 125.33 48.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 60.3 38.63 19.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.82 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.92 -4.41 30.81 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -108.63 129.83 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.309 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.504 HD13 ' HB2' ' A' ' 63' ' ' GLU . 11.6 mm -68.03 128.95 32.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.486 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 9.4 ptm -83.72 136.65 34.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.58 126.38 54.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 2.6 t -122.79 126.38 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.13 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -153.13 157.21 40.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -44.15 153.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.982 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 27.4 p -94.42 53.48 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.5 m -120.15 127.31 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.121 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.8 m -133.27 107.89 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.796 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -171.5 119.07 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 ttpp -79.68 103.21 9.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.39 87.57 3.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.14 152.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -112.75 42.3 1.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.782 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.9 m -155.49 144.63 20.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 162.97 -173.25 39.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.501 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.87 172.92 11.86 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.259 . . . . 0.0 112.236 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.2 t -124.77 97.59 5.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.6 p -86.21 -44.27 12.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.809 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.459 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 5.3 m -122.21 87.32 2.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.854 0.359 . . . . 0.0 110.9 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 32.9 t -84.52 99.65 10.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -154.45 -80.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 4.8 t 53.9 38.85 29.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 110.876 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 9.9 m -108.2 -45.23 3.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.848 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 90.64 -98.8 2.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 ttt -74.5 158.09 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.72 0.295 . . . . 0.0 110.939 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.535 ' HB3' ' CZ ' ' A' ' 45' ' ' TYR . 10.7 m-80 -95.99 120.41 36.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.84 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.0 mtmm -147.8 166.73 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.1 mt -117.35 142.26 47.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 1.8 t80 -94.03 130.68 40.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.805 HG12 HG13 ' A' ' 71' ' ' VAL . 10.4 mt -117.78 121.19 66.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.109 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -114.56 161.66 12.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 t30 74.82 50.11 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.96 109.6 20.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 t -44.14 150.46 0.61 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 110.805 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.81 10.83 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.676 2.251 . . . . 0.0 112.28 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.83 -19.43 17.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 83.7 t -58.7 136.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.053 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.7 p -125.93 161.83 26.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.24 -31.78 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.062 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.39 -42.25 98.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.408 ' OD1' HD11 ' A' ' 64' ' ' LEU . 4.3 t0 -68.5 -40.86 80.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.9 mt -61.64 -47.52 85.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 21' ' ' GLN . 8.9 ptm180 -67.16 -38.24 85.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' N ' ' HG3' ' A' ' 20' ' ' ARG . 2.0 tp-100 -70.09 -36.22 74.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.777 HD21 HG11 ' A' ' 62' ' ' VAL . 18.5 tp -68.44 -43.31 77.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.809 ' CD2' HD21 ' A' ' 30' ' ' LEU . 5.0 m-85 -66.33 -42.61 87.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.8 -31.65 73.22 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.503 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -68.45 -34.2 75.54 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HD3' ' CG2' ' A' ' 57' ' ' THR . 7.5 mmp_? -87.48 16.82 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 mmtt 61.32 40.85 13.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -129.99 80.93 70.14 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.944 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 123.71 10.38 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.67 2.247 . . . . 0.0 112.339 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.809 HD21 ' CD2' ' A' ' 23' ' ' PHE . 7.9 mt -74.1 104.55 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.06 39.85 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.039 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -159.04 -138.12 2.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -113.41 152.78 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.742 ' CG2' HD13 ' A' ' 30' ' ' LEU . 91.9 t -122.06 129.75 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 mp -121.08 133.35 55.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 19.8 tp -118.94 114.92 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 1.4 mptp? -109.83 159.14 17.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -68.78 89.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 116.25 -13.74 16.16 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.457 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.3 p90 -157.03 176.28 12.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.04 150.76 22.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.8 m-85 -120.82 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 m -125.9 140.89 47.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.119 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -95.11 124.98 39.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' CZ ' ' HB3' ' A' ' 3' ' ' ASN . 5.8 p90 -104.46 146.92 33.53 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.684 0.755 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.746 2.297 . . . . 0.0 112.313 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -135.2 165.31 25.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.837 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -65.06 -34.03 77.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -62.72 -45.52 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 33.3 t90 -65.08 -42.18 94.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.516 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . . . -60.35 -50.17 74.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.9 mt -58.35 -43.31 86.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 -69.98 -30.62 68.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.44 -46.36 64.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 59' ' ' SER . 21.6 mt -64.11 -47.98 87.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.075 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -62.89 -41.08 99.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.449 ' CG2' ' HD3' ' A' ' 26' ' ' ARG . 18.7 m -77.16 -23.85 51.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.074 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.726 HD23 HG21 ' A' ' 62' ' ' VAL . 61.9 mt -100.37 -71.96 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.478 ' N ' ' O ' ' A' ' 55' ' ' ILE . 18.4 t -55.13 114.97 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 87.97 -14.94 57.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -121.78 12.77 10.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.798 0.332 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.777 HG11 HD21 ' A' ' 22' ' ' LEU . 39.6 t -146.89 131.4 10.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.17 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.609 ' HB2' HD13 ' A' ' 68' ' ' ILE . 34.8 tt0 -122.68 133.67 54.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 64' ' ' LEU . 12.3 tp -124.53 127.23 47.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 30.7 m-70 60.11 37.04 21.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.2 -6.55 28.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.429 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.405 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 66.4 mttt -109.57 129.25 55.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.319 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.609 HD13 ' HB2' ' A' ' 63' ' ' GLU . 14.2 mm -68.16 129.93 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.478 ' SD ' ' CG1' ' A' ' 62' ' ' VAL . 8.9 ptm -83.67 134.21 34.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -111.54 125.65 54.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.805 HG13 HG12 ' A' ' 7' ' ' ILE . 2.1 t -122.95 134.39 66.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.111 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.03 152.36 32.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.5 ' HB3' HG22 ' A' ' 75' ' ' VAL . 25.3 m-85 -48.72 123.32 6.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.9 p -53.09 -25.24 12.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 73' ' ' TYR . 26.9 m -57.2 119.87 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.079 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 72.8 m -143.55 173.84 11.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.856 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 77' ' ' LYS . 2.7 mppt? -133.32 105.38 6.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.407 ' H ' ' CD ' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -71.55 -20.57 62.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.842 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 78.6 mt -148.23 129.24 14.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 81' ' ' SER . 20.7 ptt180 -127.93 175.08 8.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 80' ' ' ARG . 9.2 t -36.54 100.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 22.7 t -116.53 117.95 31.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -172.2 83.48 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.505 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -34.94 13.5 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.4 t 50.49 47.91 23.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.2 t -71.73 -58.77 3.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.503 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.571 -0.212 . . . . 0.0 112.571 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 79.1 p -69.57 -52.7 23.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 0.0 110.792 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 1.3 t 50.12 42.72 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -123.75 41.91 1.67 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.567 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.8 t -52.6 -51.16 61.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.795 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 32.4 p -72.4 -43.66 63.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 123.21 -140.73 13.26 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.0 mmt -129.9 127.9 41.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 110.848 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -73.45 172.89 10.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -141.01 166.04 25.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.6 mt -111.88 130.24 55.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -96.01 118.11 31.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.7 mt -101.4 125.13 55.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.1 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.99 169.06 12.83 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.503 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 68.13 50.25 0.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.3 mt -112.39 114.36 27.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.9 p -45.67 151.58 0.79 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.744 0.783 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -4.29 13.73 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.677 2.251 . . . . 0.0 112.38 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.86 -14.53 20.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.702 HG22 HD23 ' A' ' 64' ' ' LEU . 75.5 t -52.76 144.85 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.0 p -130.72 155.25 46.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.187 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.41 -39.15 64.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.086 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.0 -41.39 92.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -64.27 -42.56 96.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' A' ' 19' ' ' LEU . 9.4 mt -59.82 -47.39 85.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.9 mtp180 -69.33 -40.47 77.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.786 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -68.92 -32.2 71.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD21 HG11 ' A' ' 62' ' ' VAL . 21.1 tp -71.68 -49.7 37.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.938 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.494 ' CZ ' HD13 ' A' ' 58' ' ' LEU . 9.6 m-85 -64.0 -42.86 97.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.851 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.0 -39.16 96.25 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.88 -29.81 70.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.808 0.337 . . . . 0.0 110.838 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -88.74 16.65 6.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm 62.76 31.04 16.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.8 mt -126.1 80.9 67.46 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.637 0.732 . . . . 0.0 111.012 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.62 145.42 57.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.344 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.626 HD13 ' CG2' ' A' ' 34' ' ' VAL . 4.0 mt -95.59 101.47 13.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.46 42.08 0.98 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -153.19 -129.93 1.45 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -120.43 148.21 44.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.349 . . . . 0.0 110.893 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.626 ' CG2' HD13 ' A' ' 30' ' ' LEU . 45.1 t -122.3 118.87 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.071 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.1 mp -112.33 129.34 56.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.5 tp -112.46 115.13 28.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.53 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 1.3 mmmp? -109.8 158.91 17.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.808 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.6 m -68.34 90.14 0.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.22 -14.5 18.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.53 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 4.5 p90 -155.73 176.17 12.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.907 0.384 . . . . 0.0 110.889 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -156.67 148.24 22.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.138 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -116.34 146.14 42.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.3 m -141.51 140.77 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -91.32 122.26 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -94.62 144.37 27.79 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.592 0.71 . . . . 0.0 110.95 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.14 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -139.74 165.14 28.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -63.11 -38.69 92.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -62.18 -42.58 99.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 37.9 t90 -63.76 -42.32 97.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.16 -50.8 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 53.4 mt -58.98 -44.39 90.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.5 tpp180 -70.06 -30.18 67.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.01 -43.07 65.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 59' ' ' SER . 20.6 mt -65.02 -47.93 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -62.94 -41.36 99.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.926 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 81.5 m -76.61 -31.55 57.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.103 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.494 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 29.6 mt -97.63 -71.57 0.68 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.8 p -53.48 124.49 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.1 -1.84 73.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.478 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.53 4.52 3.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.743 0.306 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.761 HG11 HD21 ' A' ' 22' ' ' LEU . 94.6 t -140.6 130.46 27.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.441 ' HG3' ' C ' ' A' ' 67' ' ' LYS . 45.3 tt0 -122.37 130.01 52.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.702 HD23 HG22 ' A' ' 14' ' ' VAL . 11.1 tp -116.5 121.97 43.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 59.72 43.08 15.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 70.14 -1.57 17.79 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.516 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' C ' ' HG3' ' A' ' 63' ' ' GLU . 18.4 mmtm -109.34 126.98 53.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.703 0.287 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.5 mm -69.62 128.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.147 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.564 ' SD ' HD21 ' A' ' 22' ' ' LEU . 6.5 ptm -86.29 132.34 34.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -115.64 121.94 44.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.933 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 t -111.99 128.3 68.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -154.07 151.91 29.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -55.46 141.5 36.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 75' ' ' VAL . 86.6 p -83.05 -45.33 14.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.85 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 74' ' ' SER . 33.2 m 33.82 46.08 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 92.0 p -84.4 47.17 1.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.6 tptm -114.76 41.34 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -80.2 -50.25 10.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.82 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.585 HD23 ' H ' ' A' ' 79' ' ' LEU . 2.2 pt? -88.41 154.27 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -159.8 178.18 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.9 t -75.45 147.25 40.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.1 m -163.74 153.4 14.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.812 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.29 81.95 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 127.34 14.42 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.673 2.249 . . . . 0.0 112.301 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.5 m -96.88 99.11 10.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.0 t -160.4 123.96 3.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.819 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.496 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 40.9 m -104.75 112.6 25.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 110.856 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 40.1 t -96.62 -47.68 5.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -107.97 -164.77 21.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.563 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 78.1 p -60.79 97.25 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.82 0.343 . . . . 0.0 110.845 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 63.4 m -154.3 116.28 4.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 167.21 148.06 5.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.53 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -68.57 104.46 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.743 0.306 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -102.38 111.73 24.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 47.9 mttm -139.65 166.34 24.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.945 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.1 mt -110.01 139.89 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -98.54 128.4 44.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.8 mt -112.65 120.72 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.32 167.08 12.28 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 t30 71.08 41.14 0.82 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.6 mt -99.61 113.61 26.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.479 ' HB3' HG23 ' A' ' 14' ' ' VAL . 1.4 t -45.72 143.26 3.19 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 2.02 3.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.329 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.13 -21.02 13.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.536 HG12 ' N ' ' A' ' 15' ' ' THR . 94.7 t -62.58 159.57 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.536 ' N ' HG12 ' A' ' 14' ' ' VAL . 24.9 p -140.0 163.8 31.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.49 ' N ' HD22 ' A' ' 36' ' ' LEU . . . -53.93 -36.31 62.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.051 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -58.93 -44.73 91.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 18.7 m-20 -66.88 -38.72 86.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.9 mt -62.71 -47.48 83.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -66.79 -39.89 87.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -69.88 -32.46 70.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.753 HD21 HG11 ' A' ' 62' ' ' VAL . 23.8 tp -66.53 -49.57 66.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.973 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' CD2' HD21 ' A' ' 30' ' ' LEU . 10.6 m-85 -61.13 -46.97 88.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.36 -37.38 94.75 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -60.05 -29.01 68.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.885 0.374 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.8 mmt-85 -92.06 19.83 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm 59.3 36.23 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -132.45 80.86 61.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.603 0.716 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 145.46 57.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.638 2.225 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 23' ' ' PHE . 3.5 mt -90.69 120.16 31.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.468 ' HB3' ' HB3' ' A' ' 46' ' ' PRO . . . -97.53 31.1 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -147.77 -150.49 5.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.511 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -99.71 154.77 18.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.939 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.405 ' CG2' HD13 ' A' ' 30' ' ' LEU . 91.8 t -122.12 128.89 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.3 mp -119.35 131.95 55.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 16' ' ' ALA . 28.4 tp -119.06 114.8 23.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 42' ' ' PHE . 3.7 mptp? -110.02 159.25 17.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.6 m -69.17 88.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 117.45 -13.22 13.64 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.503 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CD1' ' N ' ' A' ' 40' ' ' TYR . 2.2 p90 -156.63 177.4 11.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.84 0.352 . . . . 0.0 110.986 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.27 151.81 19.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.123 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 22.5 m-85 -123.28 145.91 48.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 12.0 m -137.29 140.96 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -91.34 121.98 33.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -91.74 144.22 29.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.673 0.749 . . . . 0.0 110.922 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.495 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.7 Cg_endo -69.7 -44.72 1.95 Allowed 'Trans proline' 0 N--CA 1.466 -0.137 0 C-N-CA 122.743 2.295 . . . . 0.0 112.346 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -143.31 162.7 34.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -62.76 -37.58 87.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -65.4 -40.53 93.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.495 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 41.0 t90 -65.1 -42.83 93.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.995 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.27 96.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.053 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 47.5 mt -64.7 -44.61 96.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.07 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.5 ttm-85 -69.06 -36.07 77.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.0 -44.94 62.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 24.5 mt -64.99 -48.0 85.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -63.05 -38.06 89.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.0 m -80.4 -27.16 38.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.175 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -94.26 -74.48 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 71' ' ' VAL . 27.7 t -51.11 127.42 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 79.41 -13.37 22.17 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.391 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -123.41 15.84 9.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.772 0.32 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.753 HG11 HD21 ' A' ' 22' ' ' LEU . 54.4 t -146.72 128.2 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.141 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.458 ' HB2' HD13 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -115.76 130.47 56.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD23 HG21 ' A' ' 14' ' ' VAL . 11.1 tp -119.62 119.54 34.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 62.76 34.19 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 79.87 -7.71 53.79 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.519 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.0 mttp -107.65 130.88 54.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.718 0.294 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.458 HD13 ' HB2' ' A' ' 63' ' ' GLU . 12.6 mm -68.0 128.9 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.428 ' SD ' HD21 ' A' ' 22' ' ' LEU . 8.6 ptm -84.5 133.39 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.809 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.25 127.46 55.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.489 HG23 ' HB2' ' A' ' 59' ' ' SER . 3.2 t -118.96 127.39 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 73' ' ' TYR . 9.7 m-20 -149.1 138.67 21.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.413 ' C ' ' O ' ' A' ' 72' ' ' ASP . 24.8 m-85 -35.67 139.99 0.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.8 t -87.11 85.99 7.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 m -129.68 136.69 58.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.125 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.8 m -91.72 -49.8 6.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -150.92 138.29 19.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 25.4 mttm -73.59 94.69 2.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.864 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.1 mt -129.29 142.01 50.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.817 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -97.12 136.0 38.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 35.0 t -100.37 95.7 6.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 79.8 p -161.27 120.75 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 173.71 155.86 12.49 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 118.43 5.68 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.705 2.27 . . . . 0.0 112.341 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 59.7 p -50.44 108.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.4 p -55.3 106.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 32.8 t -58.34 123.67 16.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.915 0.388 . . . . 0.0 110.848 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 29.2 m -128.42 96.13 4.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . 176.19 90.3 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.2 p -100.35 111.09 23.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 13.9 t -57.63 93.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -156.92 132.27 3.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 19.3 mtp -114.12 129.87 56.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -143.31 178.67 7.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.1 mttt -123.18 164.98 17.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.603 HD22 HD11 ' A' ' 55' ' ' ILE . 9.6 mt -109.96 138.31 46.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.499 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -94.04 131.77 39.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 28.9 mt -113.12 122.0 66.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.181 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.47 162.54 12.34 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.433 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 t30 72.86 44.87 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.928 0.394 . . . . 0.0 110.923 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.3 mt -103.6 112.76 25.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.628 ' OG ' HG23 ' A' ' 14' ' ' VAL . 50.8 p -48.89 152.76 1.68 Allowed Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.663 0.744 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 0.74 5.25 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.03 -23.85 13.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.628 HG23 ' OG ' ' A' ' 11' ' ' SER . 94.5 t -48.15 133.39 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.7 p -116.72 160.06 21.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -56.74 -38.96 73.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.077 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -62.92 -40.03 96.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -64.68 -40.79 96.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.484 HD23 ' HA ' ' A' ' 19' ' ' LEU . 9.6 mt -62.42 -47.51 83.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -68.43 -38.4 81.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -69.81 -32.58 71.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.595 HD21 HG11 ' A' ' 62' ' ' VAL . 15.0 tp -68.16 -49.6 59.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.603 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 11.0 m-85 -62.32 -41.81 98.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -65.3 -37.02 93.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.52 -31.21 71.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.47 ' NH2' HG23 ' A' ' 57' ' ' THR . 10.7 mmm180 -89.51 20.0 4.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? 62.42 30.55 17.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 54' ' ' ALA . 84.3 mt -121.2 80.91 36.41 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.948 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.72 121.67 8.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.324 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.7 mt -79.54 108.75 13.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.09 34.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.6 -166.75 12.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.451 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -84.23 153.67 23.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.856 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.3 t -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.401 HD23 ' HE2' ' A' ' 37' ' ' LYS . 4.4 mp -123.0 129.99 52.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.983 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 20.2 tp -119.11 114.75 22.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 40' ' ' TYR . 0.8 OUTLIER -109.64 159.81 16.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.96 179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 t -67.87 92.17 0.35 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 114.89 -16.77 18.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 37' ' ' LYS . 9.2 p90 -155.9 177.73 11.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.47 152.83 20.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.419 ' CE2' ' HD3' ' A' ' 37' ' ' LYS . 10.5 m-85 -121.95 144.49 48.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m -134.12 140.9 45.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.01 121.99 33.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -93.12 144.11 27.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.671 0.748 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.455 ' HD2' ' CE3' ' A' ' 50' ' ' TRP . 53.5 Cg_endo -69.75 -46.52 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.251 . . . . 0.0 112.369 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -142.95 158.95 43.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -56.37 -40.94 75.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.24 -42.92 99.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.455 ' CE3' ' HD2' ' A' ' 46' ' ' PRO . 32.0 t90 -63.23 -42.07 99.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.488 ' O ' HD12 ' A' ' 55' ' ' ILE . . . -62.97 -45.21 93.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.035 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.56 -44.65 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.154 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -69.96 -36.78 75.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . . . -71.01 -46.5 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.068 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.603 HD11 HD22 ' A' ' 5' ' ' LEU . 21.7 mt -63.87 -47.61 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -62.85 -43.02 99.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.47 HG23 ' NH2' ' A' ' 26' ' ' ARG . 55.5 m -74.59 -25.23 59.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.603 ' CD1' ' CE2' ' A' ' 23' ' ' PHE . 98.4 mt -97.42 -71.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 55' ' ' ILE . 24.6 t -55.25 117.69 3.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.37 -10.33 73.27 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -134.77 13.8 3.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.595 HG11 HD21 ' A' ' 22' ' ' LEU . 42.3 t -147.82 132.7 10.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 1.017 ' HB3' HD13 ' A' ' 68' ' ' ILE . 24.6 pm0 -135.17 149.95 50.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 64' ' ' LEU . 9.2 tp -128.82 133.38 47.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.979 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 62.71 31.15 16.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.821 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.29 3.33 85.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 8.5 mtpm? -114.67 128.04 56.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.017 HD13 ' HB3' ' A' ' 63' ' ' GLU . 10.9 mm -68.19 125.8 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 22' ' ' LEU . 7.6 ptm -88.1 135.76 33.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -114.66 128.09 56.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.56 ' HB ' HG23 ' A' ' 55' ' ' ILE . 3.5 t -117.28 131.62 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.171 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' TYR . 4.7 t70 -157.27 143.4 17.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' ASP . 15.8 m-85 -35.69 126.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.9 p -77.4 89.51 3.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -136.54 156.31 35.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.4 t -125.42 -70.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 78' ' ' LYS . 6.3 tptm -173.96 106.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 77' ' ' LYS . 10.5 ptpp? -36.34 137.05 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.986 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.1 tp -54.02 142.65 24.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 36.6 ttp180 -144.59 141.74 29.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.9 p -150.75 135.47 17.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.7 m -101.52 -71.73 0.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 131.05 83.49 0.28 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 119.84 6.71 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.621 2.214 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.1 t -137.71 117.37 13.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.3 t -146.57 127.22 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.421 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' SER . . . . . . . . . . . . . 53.6 m -52.2 151.67 3.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 93.3 p -40.88 -47.49 2.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.931 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . -99.46 -123.94 5.1 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.551 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.6 t -111.08 159.92 17.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.943 0.401 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 60.6 p -93.38 128.87 39.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.977 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 2' ' ' MET . . . -75.9 -167.95 24.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.407 ' C ' ' O ' ' A' ' 1' ' ' GLY . 0.0 OUTLIER -37.43 128.28 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.822 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 45' ' ' TYR . 1.6 p30 -82.22 121.22 26.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -147.86 166.72 26.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.595 HD22 HD11 ' A' ' 55' ' ' ILE . 9.0 mt -114.61 142.25 46.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.436 ' CD1' ' C ' ' A' ' 6' ' ' TYR . 3.3 t80 -96.54 132.03 42.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.5 mt -116.54 122.58 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.56 171.05 13.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.5 t30 66.31 48.06 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.824 0.345 . . . . 0.0 110.859 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 40' ' ' TYR . 80.2 mt -107.19 109.84 21.75 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.961 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.486 ' OG ' HG23 ' A' ' 14' ' ' VAL . 4.3 p -49.89 151.54 3.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.65 -0.08 6.3 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.751 2.301 . . . . 0.0 112.32 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.81 -12.53 18.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.073 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.486 HG23 ' OG ' ' A' ' 11' ' ' SER . 89.9 t -68.69 134.21 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.137 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.7 p -117.67 161.66 19.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -52.1 -38.13 56.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -61.66 -41.65 97.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -63.26 -44.09 96.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.2 mt -59.03 -47.5 84.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -65.88 -44.53 85.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.925 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -65.16 -34.47 78.46 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.467 HD21 ' SD ' ' A' ' 69' ' ' MET . 28.9 tp -65.18 -46.77 79.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.488 ' CE2' ' CD1' ' A' ' 58' ' ' LEU . 10.2 m-85 -66.15 -41.65 90.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.0 -32.42 82.47 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.15 -31.99 73.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -89.79 20.04 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mmtm 60.75 29.52 19.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -122.56 81.24 47.34 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.627 0.727 . . . . 0.0 110.919 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 140.4 42.37 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.667 2.245 . . . . 0.0 112.333 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.452 HD13 ' CG2' ' A' ' 34' ' ' VAL . 5.7 mt -87.41 113.14 22.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.52 32.36 1.81 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.047 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -146.33 -135.98 2.84 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -117.4 154.65 30.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.909 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.452 ' CG2' HD13 ' A' ' 30' ' ' LEU . 65.5 t -122.08 140.12 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.9 136.08 49.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 45.5 tp -114.11 114.49 26.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' CB ' ' CE2' ' A' ' 40' ' ' TYR . 51.4 mmtt -110.35 158.27 18.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.5 m -69.51 84.81 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 115.99 -8.49 18.82 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.487 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.516 ' CE2' ' CB ' ' A' ' 37' ' ' LYS . 2.1 p90 -156.73 177.93 10.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 -179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -155.52 147.58 23.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.085 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -114.28 139.4 49.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 24.6 m -135.61 140.93 43.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -97.84 123.16 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.603 ' CG ' ' HB2' ' A' ' 51' ' ' ALA . 52.5 p90 -94.98 143.93 26.95 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.708 0.766 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.3 0.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.76 2.306 . . . . 0.0 112.34 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -133.81 152.33 51.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -55.04 -38.52 68.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -62.45 -43.61 98.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.855 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . . . . . . . . . 39.2 t90 -63.8 -42.07 97.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' CG ' ' A' ' 45' ' ' TYR . . . -60.75 -49.4 77.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.0 mt -63.24 -44.61 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -68.42 -34.44 76.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.84 -46.23 54.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.721 HG23 ' HB ' ' A' ' 71' ' ' VAL . 31.4 mt -64.17 -47.99 87.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.95 -40.87 98.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.8 m -78.1 -21.99 49.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.563 HD23 HG21 ' A' ' 62' ' ' VAL . 78.6 mt -96.59 -74.07 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.95 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.5 t -56.59 126.0 24.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.91 -17.58 52.32 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mptt -129.47 12.91 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.749 0.309 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.563 HG21 HD23 ' A' ' 58' ' ' LEU . 91.7 t -147.96 132.98 10.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.875 ' HB3' HD13 ' A' ' 68' ' ' ILE . 25.2 pm0 -134.75 147.69 50.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.409 HD23 ' CG2' ' A' ' 14' ' ' VAL . 10.6 tp -122.89 134.3 54.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 61.73 30.85 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.843 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.1 88.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -118.32 131.56 56.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.875 HD13 ' HB3' ' A' ' 63' ' ' GLU . 10.2 mm -68.57 128.1 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.467 ' SD ' HD21 ' A' ' 22' ' ' LEU . 8.1 ptm -91.65 136.46 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -108.72 131.2 55.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.721 ' HB ' HG23 ' A' ' 55' ' ' ILE . 12.2 t -124.36 131.03 73.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 73' ' ' TYR . 6.3 m-20 -154.72 136.87 14.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.412 ' C ' ' O ' ' A' ' 72' ' ' ASP . 3.4 m-85 -36.59 139.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -93.27 58.86 2.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.4 m -98.97 -3.05 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.166 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 48.7 m -81.21 147.17 30.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.843 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 77' ' ' LYS . 0.1 OUTLIER -172.24 138.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.88 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.11 160.85 17.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.7 tp -126.8 139.8 52.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -157.4 154.94 29.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.9 p 51.44 42.94 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 87.1 p -83.74 96.15 8.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 43.84 68.56 0.83 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 114.79 3.81 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.657 2.238 . . . . 0.0 112.323 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.6 t -104.16 129.45 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 56.2 p -170.59 137.55 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.798 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.971 . . . . . . . . 0 0 . 1 stop_ save_