data_2cu7_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 2cu7 _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 ' 12' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -125.43 151.5 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.2 mt -40.98 -53.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.68 -42.95 46.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.67 -43.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -59.45 -42.87 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 8.9 pt-20 -67.24 -39.67 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 63.5 mt -66.71 -48.58 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.08 -48.62 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.24 -57.31 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.4 -59.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.54 92.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 12.1 tp -53.01 -44.1 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.38 -45.38 22.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.1 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.88 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 67.1 m-85 -72.7 -29.61 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 105.02 -144.95 15.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -86.5 31.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -90.29 114.59 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.51 ' CH2' ' HB3' ' A' ' 50' ' ' ALA . 12.2 m95 -81.94 -43.38 18.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.3 p -50.66 -41.15 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 51.3 mttm -72.7 -59.34 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.8 mt -46.34 -62.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -38.64 -44.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -64.94 -51.85 59.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 tp -44.66 -59.86 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.08 -44.93 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.66 -44.18 2.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -62.31 -51.01 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.53 177.15 9.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 67.9 p -130.91 153.62 48.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.7 t -34.25 -44.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.55 -70.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -40.3 -46.62 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.05 -51.57 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -45.56 -55.35 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -62.31 -62.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 28.7 t80 -39.22 -45.67 1.39 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . . . -37.83 -48.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.7 ptp85 -80.54 -27.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.0 tt0 -66.23 -36.66 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -60.63 -59.13 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.476 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 12.5 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ILE . 47.2 p -130.53 140.8 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.3 mp -36.52 -55.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -42.67 -55.07 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 41' ' ' ARG . 50.2 mt-10 -64.7 -53.56 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -40.34 -39.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.6 -56.74 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.46 -54.88 10.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -39.62 -59.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' GLN . 8.2 mt-10 -47.55 -58.14 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -37.37 -61.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.49 92.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 6.9 tp -59.44 -40.0 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.63 21.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -70.4 -61.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -76.01 -27.21 57.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 102.58 -142.87 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HD2' ' CH2' ' A' ' 31' ' ' TRP . 7.3 mmm-85 -85.03 32.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -90.34 117.3 28.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.424 ' CH2' ' HD2' ' A' ' 29' ' ' ARG . 11.6 m95 -83.72 -41.28 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 m -58.49 -42.17 86.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -68.81 -56.66 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.5 mt -51.81 -56.35 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.4 p -38.27 -43.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -64.8 -49.48 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 tp -45.83 -43.03 13.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.42 -43.11 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.24 -47.55 2.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -57.35 -47.23 82.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.475 ' CZ ' ' OE1' ' A' ' 16' ' ' GLU . 4.9 mmt-85 -85.39 179.09 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.3 p -131.81 153.18 50.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -38.31 -42.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -65.09 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.04 -47.16 22.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 79.9 t -61.98 -56.37 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' VAL . 7.4 mtpm? -34.5 -60.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t -60.91 -53.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 1.7 t80 -42.85 -53.76 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . . . -38.26 -34.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -83.1 -37.56 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.4 tt0 -61.22 -42.2 98.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -52.57 -61.63 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 p -96.97 158.76 15.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.51 -51.02 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -53.96 -19.39 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -94.05 -47.63 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -56.28 -29.56 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.45 -37.78 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 mt -70.88 -39.85 72.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -55.91 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.05 -51.43 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -40.68 -56.02 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 -32.61 68.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.41 -38.15 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.56 -40.53 25.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.48 -64.37 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 20.4 m-85 -71.65 -28.52 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.77 -129.82 10.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -96.84 19.36 12.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.92 107.6 11.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.408 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.0 m95 -72.5 -31.44 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.0 p -67.34 -51.32 53.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 8.5 mptt -56.46 -47.24 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 mt -63.76 -60.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -67.45 -46.06 74.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.26 -43.01 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -76.73 -48.4 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.56 -40.43 2.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -63.19 -50.63 69.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -87.03 173.59 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.6 p -124.0 151.95 43.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' THR . 95.4 t -35.68 -44.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 mt -62.89 -63.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -45.66 -44.96 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 -52.32 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 47.2 mttt -43.36 -47.18 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.5 t -71.2 -60.78 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.2 t80 -40.75 -50.46 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -35.5 -41.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -76.47 -41.73 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.6 tt0 -59.1 -45.3 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -50.96 -57.65 8.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.45 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.2 m0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -103.85 145.55 29.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -46.89 -43.98 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.04 -39.56 63.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.6 mt-10 -77.97 -55.16 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLU . 50.1 mttt -37.9 -44.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.42 -52.14 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.35 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 8.1 t80 -39.55 -57.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.37 -48.48 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -44.88 -54.32 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.84 -28.62 68.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.42 -31.56 72.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.02 -36.2 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -73.07 -63.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -77.02 -26.49 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 -139.07 14.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 mmt-85 -90.04 31.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -92.07 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -79.95 -40.85 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.0 p -57.18 -34.75 68.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -77.57 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.13 -54.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 t -38.92 -51.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -56.85 -45.13 82.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.62 -58.61 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.61 -50.56 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.16 -45.67 3.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -61.88 -45.58 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -92.32 174.27 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 p -123.55 160.0 27.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.4 t -39.53 -44.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.06 -70.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.86 -50.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' LYS . 69.6 t -58.24 -56.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' VAL . 23.1 mttm -37.0 -59.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' TYR . 49.0 m -59.57 -67.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 t80 -34.81 -45.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.1 -51.55 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -75.81 -25.94 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 tm0? -68.79 -36.83 78.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' PHE . 22.3 t80 -63.8 -66.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' TYR . 53.8 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.41 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 9.3 m95 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.838 0.351 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.4 p -107.66 137.21 46.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' THR . 38.6 mm -34.38 -48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.13 -51.99 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -62.16 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -38.68 -45.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.6 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.66 -48.51 80.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -47.11 -51.06 18.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLN . 10.0 mt-10 -56.82 -56.98 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLU . 3.0 tt0 -36.77 -61.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -36.5 91.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 13.7 tp -54.28 -39.18 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.78 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.07 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -67.53 -64.01 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -75.23 -29.51 60.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 106.12 -139.67 14.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -86.7 29.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 116.98 26.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.436 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 8.0 m95 -81.1 -41.81 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -57.06 -45.23 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -64.75 -52.31 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -57.39 -58.2 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 p -41.96 -45.59 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -62.67 -53.25 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.9 -52.69 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.83 -47.31 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.74 -45.75 3.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -62.16 -52.77 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 49.1 mmt-85 -77.71 172.75 12.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -125.92 149.88 48.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' THR . 94.8 t -36.16 -45.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.52 -62.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -47.74 -42.82 26.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.74 -53.72 38.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 37.1 mtmt -41.51 -60.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -58.64 -58.59 7.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.2 t80 -41.03 -50.0 3.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -39.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -76.81 -41.06 45.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tt0 -55.55 -45.55 77.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -57.72 -47.77 81.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' ILE . 68.9 p -115.07 138.04 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.1 mp -33.98 -59.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' ILE . 10.3 tp10 -35.94 -47.85 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -54.83 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.23 -40.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.46 -59.18 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.95 -43.55 66.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -52.71 -44.76 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.8 -53.32 27.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -38.84 -55.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.3 -26.81 67.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.62 -35.29 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.46 -34.33 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -76.31 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 47.6 m-85 -79.07 -28.13 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.7 -137.05 13.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -93.12 23.12 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -79.56 115.12 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.99 -36.35 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -58.66 -38.14 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 34.7 mttt -75.82 -62.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -44.85 -47.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -42.19 -54.96 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -56.48 -55.7 30.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -39.84 -57.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -49.04 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.33 -46.05 3.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.6 t -60.16 -55.49 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -75.66 177.87 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -133.89 149.53 51.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' THR . 85.7 t -34.56 -43.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.97 -61.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -50.76 -45.16 58.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.77 -50.57 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -47.26 -58.45 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.4 m -60.26 -59.09 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.0 t80 -41.83 -53.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.583 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -34.02 -36.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.4 mtt180 -80.87 -44.75 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -54.09 -39.4 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -60.8 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 52.8 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 9.9 m0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 p -118.78 153.86 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' GLU . 5.1 mp -41.48 -59.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ILE . 24.3 tt0 -37.27 -64.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.7 -54.65 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -44.49 -40.01 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.98 -49.09 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.97 -53.4 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -42.3 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 2.2 mp0 -55.87 -59.9 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 40.2 mt-30 -36.48 -62.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.11 73.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.06 -38.05 87.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.45 -39.12 20.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -69.78 -63.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -77.5 -29.27 52.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 -142.81 15.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -86.7 29.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -85.02 110.55 19.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -80.09 -39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.0 p -55.38 -38.68 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -75.36 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -46.68 -58.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.5 p -40.64 -45.18 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -64.4 -46.71 82.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.77 -49.72 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.15 -42.51 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.86 -62.3 3.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.8 t -56.05 -36.94 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -87.29 178.59 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -141.28 153.92 45.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.1 t -35.01 -44.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.75 -66.49 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -44.17 -49.04 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.22 -54.11 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -39.69 -59.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 49' ' ' TYR . 12.0 t -61.36 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.3 t80 -34.51 -48.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.53 -54.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -72.53 -27.53 62.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.8 tt0 -68.34 -35.34 77.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.15 -43.56 95.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 11.1 m95 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.826 0.346 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.9 p -95.99 152.87 18.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.26 -48.5 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -49.23 -53.89 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -63.98 -51.06 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.38 -48.33 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.15 -58.24 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 mt -49.25 -53.23 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -39.81 -51.92 2.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' LEU . 2.6 mm-40 -63.44 -60.04 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' GLU . 59.4 mt-30 -35.22 -48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.5 -30.62 44.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.1 tp -65.2 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -52.45 15.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -55.36 12.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -71.64 -30.01 65.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 95.33 -106.59 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -117.56 29.64 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -91.22 112.18 23.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.2 m95 -79.45 -43.65 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.9 p -51.87 -42.15 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -71.45 -60.65 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.1 mt -48.02 -56.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -41.03 -43.68 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -62.77 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.03 -58.45 5.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.1 mt -65.71 -48.16 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.81 -43.79 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -60.43 -45.41 93.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -90.91 147.58 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.434 ' HG1' ' NE2' ' A' ' 45' ' ' GLN . 73.7 p -95.71 151.37 19.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.9 t -38.26 -42.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.38 -62.02 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' ' HG1' ' A' ' 42' ' ' THR . 0.5 OUTLIER -47.39 -43.18 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.2 -46.44 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.553 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 43.0 mttt -44.56 -45.46 9.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' TYR . 48.0 m -72.89 -67.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.3 t80 -36.42 -46.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB3' ' CZ3' ' A' ' 31' ' ' TRP . . . -37.58 -48.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.9 ptp180 -79.48 -29.65 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 2.8 tt0 -65.13 -36.29 83.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' PHE . 24.3 t80 -62.15 -64.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' TYR . 61.4 m-85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.453 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.3 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -92.19 149.89 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mm -42.42 -47.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -50.29 -51.63 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.09 -57.17 14.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -44.46 -42.53 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -63.68 -50.47 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.18 -55.82 29.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -45.48 -49.71 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.16 -52.89 63.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -38.56 -50.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.38 -46.62 14.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -43.47 -32.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.91 -36.55 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -78.69 -64.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 24.6 m-85 -72.39 -29.08 63.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.56 -121.68 7.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -92.84 -22.02 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 30' ' ' ARG . 6.9 mmp_? -45.53 110.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.545 ' CH2' ' HB2' ' A' ' 50' ' ' ALA . 21.2 m95 -76.65 -58.09 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 31' ' ' TRP . 37.4 p -35.3 -54.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 97.9 mttt -57.75 -55.3 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' SER . 64.2 mt -52.91 -59.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' ILE . 15.0 t -35.12 -49.96 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -55.76 -54.3 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.9 tp -42.59 -50.83 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.31 -55.84 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.44 3.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.2 m -66.45 -41.87 88.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.474 ' CZ ' ' NE2' ' A' ' 45' ' ' GLN . 5.2 mmp_? -84.47 -175.39 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.8 p -137.55 150.86 47.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -38.7 -38.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.5 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' A' ' 41' ' ' ARG . 21.0 mt-30 -49.11 -40.39 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' LYS . 65.0 t -68.24 -57.41 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' VAL . 53.9 mttm -37.8 -61.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 m -57.74 -64.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 52' ' ' GLN . 37.0 t80 -37.29 -46.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . . . -36.05 -48.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -76.23 -32.28 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tm0? -61.7 -45.5 93.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -52.12 -55.95 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.0 m0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.851 0.357 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.22 142.1 46.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.3 mt -49.95 -31.67 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 2.6 pt-20 -65.38 -35.69 81.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 74.4 mt-10 -85.22 -54.77 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -44.73 -44.09 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -58.44 -36.01 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -74.66 -36.9 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -60.14 -46.81 88.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.54 -43.33 85.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -46.67 -56.28 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.14 -41.49 53.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 tp -45.56 -32.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.75 -34.8 39.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 26' ' ' LYS . 11.6 tmtt? -81.13 -63.29 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -72.19 -27.84 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.73 -103.99 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.506 ' O ' ' CE3' ' A' ' 31' ' ' TRP . 52.6 mtt-85 -115.14 -17.63 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -45.32 110.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 29' ' ' ARG . 11.6 m95 -76.97 -50.94 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.8 p -45.1 -38.41 5.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.08 -47.71 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 59.4 mt -60.84 -60.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' ILE . 18.2 p -37.35 -37.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -63.94 -45.39 89.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' ILE . 14.7 tp -52.31 -50.86 61.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.77 -55.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.15 -37.26 2.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -66.04 -44.49 84.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.88 -178.3 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' VAL . 62.7 p -129.3 152.54 48.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.419 ' CG1' ' HE3' ' A' ' 47' ' ' LYS . 70.3 t -36.1 -43.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.28 -59.99 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.429 ' N ' HE21 ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.47 -41.34 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.26 -29.21 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HE3' ' CG1' ' A' ' 43' ' ' VAL . 74.3 mttt -77.11 -37.39 54.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.4 p -80.38 -17.64 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.0 t80 -84.66 -46.67 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -39.85 -39.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -36.67 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.7 tt0 -60.58 -43.8 96.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -55.9 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 58.1 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 41' ' ' ARG . 7.9 m0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 153.66 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.2 mt -46.3 -50.34 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -50.75 -36.23 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -34.89 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -71.44 -28.22 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -84.28 -43.29 14.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.09 -50.02 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' HD21 ' A' ' 24' ' ' LEU . 2.1 t80 -42.46 -51.94 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.65 -53.46 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -38.21 -57.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.21 -31.24 59.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 20' ' ' PHE . 9.5 tp -58.37 -24.59 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.78 -29.35 16.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -80.77 -59.67 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 57.8 m-85 -82.18 -21.95 36.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.92 -125.17 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 46.8 mtt180 -97.86 2.68 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -58.92 105.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.487 ' CD2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m95 -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.8 p -50.96 -39.28 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 49.4 mttt -76.54 -60.92 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -42.14 -51.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -50.88 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -58.83 -37.29 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.92 -59.92 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.41 -47.7 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.37 -39.05 2.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.4 t -65.28 -46.65 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 29.8 mmt180 -90.7 160.97 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' VAL . 63.4 p -116.2 152.23 34.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' THR . 96.9 t -34.02 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -68.66 -67.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -44.97 -35.5 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.92 -59.34 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -38.26 -41.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -71.47 -56.72 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.3 t80 -48.12 -42.33 28.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 52' ' ' GLN . 3.7 ptt85 -77.39 -35.68 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.2 tt0 -65.22 -27.53 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -67.59 -58.2 5.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.498 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 5.9 m95 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.9 p -80.64 159.67 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -52.81 -53.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.54 -58.36 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.498 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 54.9 mm-40 -46.7 -51.16 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -51.67 -42.45 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -73.16 -61.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -47.58 -56.31 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.4 t80 -41.81 -47.05 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.8 mt-10 -66.53 -55.82 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' GLU . 6.6 tt0 -37.81 -57.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.51 -34.99 67.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 12.7 tp -52.21 -22.09 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.74 -66.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 27' ' ' PHE . 2.5 ptpp? -53.37 -28.32 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' ' HD2' ' A' ' 26' ' ' LYS . 60.2 m-85 -104.26 -29.98 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 94.84 -141.24 15.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -88.1 30.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -91.81 108.21 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 50' ' ' ALA . 7.3 m95 -71.07 -43.4 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 p -57.66 -39.77 77.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.132 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -68.47 -48.64 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' SER . 47.6 mt -60.96 -58.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ILE . 90.8 p -34.8 -42.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -64.46 -54.08 38.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -40.86 -56.73 2.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.3 mt -66.91 -46.19 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.43 -43.3 2.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -61.74 -48.19 81.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' CG ' ' OE1' ' A' ' 16' ' ' GLU . 2.9 mmp_? -83.08 -177.74 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' VAL . 71.6 p -136.87 152.54 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' THR . 95.3 t -33.99 -48.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.28 -71.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -39.53 -44.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 47' ' ' LYS . 93.2 t -63.05 -62.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' VAL . 48.2 mtpt -34.38 -45.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -51.0 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.8 t80 -60.58 -41.45 94.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . . . -42.32 -43.06 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 3.2 ptt180 -86.02 -31.72 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 3.0 tt0 -64.37 -30.74 71.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.4 -52.63 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 41' ' ' ARG . 6.9 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 p -133.75 151.01 51.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mp -43.72 -49.34 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -40.32 -44.79 2.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -80.74 -58.92 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' GLU . 38.3 mtpt -35.67 -41.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.63 -60.29 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' PHE . 75.2 mt -54.94 -60.23 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' LEU . 8.2 t80 -36.31 -57.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -56.95 -57.77 11.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -39.89 -57.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.48 91.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.439 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.87 -38.21 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.67 -39.27 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -71.28 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 39.9 m-85 -74.69 -27.49 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.95 -142.24 15.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -89.48 30.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -89.31 117.25 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -82.3 -35.64 27.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -37.93 87.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 15.6 mmmt -76.05 -49.11 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.25 -53.36 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 43' ' ' VAL . 25.0 t -41.33 -52.01 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -57.16 -46.11 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -59.9 -43.1 95.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 44.1 mt -67.2 -38.04 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.25 -65.05 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -59.42 -58.49 8.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.637 HH21 ' NE2' ' A' ' 45' ' ' GLN . 2.0 tpm_? -71.28 138.42 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -98.32 152.19 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' THR . 98.7 t -33.81 -43.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.05 -62.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.637 ' NE2' HH21 ' A' ' 41' ' ' ARG . 19.8 mt-30 -49.01 -41.69 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.63 -51.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -43.26 -52.7 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.32 -64.01 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 52' ' ' GLN . 42.6 t80 -38.49 -45.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -53.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -74.27 -26.31 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' TYR . 14.0 tm0? -68.48 -33.09 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -63.77 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.832 0.348 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -114.94 149.09 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mm -39.91 -49.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -49.67 -55.14 14.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -52.29 -47.76 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -57.27 -46.43 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.7 mt -58.25 -46.45 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.67 -44.33 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -64.14 -57.58 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 5.5 tt0 -35.37 -56.77 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.41 55.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 10.5 tp -43.2 -39.68 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.74 -39.97 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.71 -63.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -71.0 -29.94 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 100.81 -102.58 2.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -119.49 31.7 6.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -93.52 116.97 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -82.2 -40.45 21.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.5 m -55.53 -41.42 73.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 33.4 mmtt -70.73 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.1 mt -40.75 -44.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.9 m -55.94 -38.35 70.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.24 -41.56 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.75 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.86 -55.3 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -39.46 3.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.6 m -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.3 mmp_? -92.13 173.09 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 p -121.92 159.39 26.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.3 t -41.87 -37.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -64.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.407 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 40.4 mm-40 -47.84 -45.52 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.26 -44.23 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -55.38 -54.25 46.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -63.98 -52.51 59.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 t80 -47.48 -49.67 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.2 -36.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -80.71 -40.79 24.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.9 tt0 -60.42 -39.99 89.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -52.72 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.5 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.828 0.347 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -118.33 150.07 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -42.72 -58.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -43.82 -40.03 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -75.07 -44.4 47.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -58.09 -39.54 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 5.9 pt-20 -69.26 -35.45 76.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 25.6 mt -72.51 -46.59 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.44 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.8 t80 -51.46 -48.99 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.5 -54.42 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.51 -56.43 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.41 -27.78 69.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.12 -34.94 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.22 -35.57 21.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.54 -61.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -77.13 -28.65 54.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.99 -133.39 11.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -96.64 27.26 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.09 110.19 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 6.5 m95 -80.3 -31.98 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 p -68.22 -25.06 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -86.02 -49.66 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.55 -43.38 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 t -52.34 -47.97 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -65.39 -43.06 91.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.71 -56.47 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.9 mt -67.5 -49.99 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.92 -41.1 2.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.7 t -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -99.04 172.09 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.6 p -121.41 156.6 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.9 t -38.93 -43.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.48 -65.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -44.37 -50.04 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.48 -52.15 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 24.0 mtpp -44.32 -52.88 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' TYR . 8.2 t -63.08 -68.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' GLN . 24.7 t80 -35.17 -47.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.64 -48.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.57 -32.95 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 tm0? -66.75 -28.56 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -75.95 -54.98 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.9 m0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.1 p -117.9 150.42 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.69 -55.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -44.69 -61.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -53.66 40.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -43.58 -40.27 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.11 -60.32 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.7 mt -48.84 -52.92 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -45.05 -50.38 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' LEU . 13.3 mt-10 -59.82 -55.67 31.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -38.1 -58.77 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.37 -18.44 75.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 10.6 tp -70.21 -17.37 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -54.29 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -64.48 -44.07 92.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -91.27 -25.2 19.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -132.72 11.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -92.17 21.12 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -76.81 113.61 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.538 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 9.6 m95 -79.79 -45.79 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.7 p -53.25 -45.69 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -63.97 -63.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 89.7 mt -43.08 -59.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ILE . 34.6 m -34.54 -53.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -47.44 -44.18 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' ILE . 7.9 tp -56.09 -70.55 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -49.58 -48.24 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.84 -42.64 2.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -63.96 -45.08 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -85.57 172.52 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' VAL . 66.7 p -130.16 152.93 49.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' THR . 89.1 t -34.0 -45.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.36 -66.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -45.18 -52.66 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.06 -43.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 58.5 mttt -56.3 -38.82 71.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.0 p -75.44 -50.21 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.2 t80 -56.34 -51.25 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . . . -34.0 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 mtp-105 -85.9 -49.12 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -50.22 -39.83 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -57.56 -60.98 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 55.0 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.9 m95 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -109.86 153.75 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -43.96 -54.89 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -43.88 -61.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -52.43 -60.27 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -39.9 -48.17 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.49 -48.26 69.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.99 -52.45 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 12.7 t80 -48.37 -49.03 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -40.61 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.1 -49.61 76.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.16 -28.59 61.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 6.6 tp -61.45 -33.26 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.37 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -73.42 -62.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -77.95 -28.86 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.68 -143.03 15.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -86.83 29.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -90.98 114.69 27.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 50' ' ' ALA . 7.7 m95 -79.56 -41.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -57.22 -34.24 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -77.15 -53.38 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.82 -50.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t -42.47 -45.6 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.2 tp -50.12 -45.39 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.7 mt -76.44 -53.09 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.31 2.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -65.43 -41.56 93.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.47 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 1.8 mmp_? -97.3 169.97 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.6 p -116.85 156.2 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' CG1' ' HE2' ' A' ' 47' ' ' LYS . 76.0 t -38.11 -41.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.37 -69.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 41.9 mm-40 -40.8 -40.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' TYR . 99.5 t -67.5 -58.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HE2' ' CG1' ' A' ' 43' ' ' VAL . 34.2 mttm -42.47 -35.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -80.15 -29.42 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.3 t80 -76.62 -53.16 8.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . . . -36.99 -44.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -80.73 -34.41 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm0? -60.65 -46.06 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -49.76 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.534 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 20.3 m95 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.796 0.331 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' ILE . 46.5 p -142.49 149.07 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' THR . 35.7 mt -35.6 -55.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -43.02 -55.25 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.04 -57.45 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -39.1 -40.82 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.06 -59.66 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.8 mt -49.92 -44.01 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -52.02 -46.78 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' GLN . 3.6 mm-40 -67.32 -54.66 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . 2.1 tt0 -36.89 -52.83 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.59 -31.32 60.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -56.59 -23.47 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.65 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.551 ' HE2' ' CZ ' ' A' ' 27' ' ' PHE . 19.2 ptmt -58.58 -47.95 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 37.8 m-85 -82.94 -29.13 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.15 -135.28 12.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -90.44 12.6 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mmt-85 -71.32 115.42 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.457 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 13.8 m95 -82.78 -39.02 22.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.9 p -54.68 -41.01 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.46 -60.19 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -46.66 -51.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 t -46.64 -43.34 17.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -67.4 -46.03 74.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.24 -55.95 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.35 -42.67 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.4 -59.1 4.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -50.35 -42.98 53.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 8.3 mmt-85 -83.53 179.3 7.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.2 p -134.77 155.96 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -38.0 -44.57 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -64.42 -69.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -41.39 -47.0 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.51 -48.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 9.4 mtpm? -51.99 -39.77 59.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.3 t -71.18 -60.56 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 t80 -41.71 -44.17 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.14 -45.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -72.28 -33.53 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tt0 -65.2 -35.34 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.15 -60.54 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.6 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.895 0.379 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 p -95.4 145.53 25.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -44.24 -55.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.72 -56.2 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -40.27 -44.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.9 -50.77 72.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -58.68 -44.43 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 34.5 t80 -52.76 -56.26 16.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' GLN . 11.6 mt-10 -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -35.59 -57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.05 -45.58 55.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 9.3 tp -45.93 -21.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 -37.83 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -79.99 -57.3 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -79.07 -23.55 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.6 -113.25 4.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -110.28 14.85 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.58 111.44 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.548 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.8 m95 -77.92 -40.2 40.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.8 p -59.16 -28.12 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.64 -57.73 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mt -52.38 -53.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.449 ' CB ' HG22 ' A' ' 43' ' ' VAL . 29.7 t -38.23 -52.41 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.18 -42.54 91.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -49.47 -41.87 41.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.4 mt -83.3 -54.42 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.59 -45.23 3.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -59.89 -37.95 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 6.4 mmp_? -102.06 155.45 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -92.32 171.47 9.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 35' ' ' SER . 27.4 t -64.25 -36.24 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -58.64 -49.27 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -41.79 99.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.26 -25.2 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 80.9 mttt -78.72 -37.54 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 t -85.36 -18.87 32.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -80.89 -46.25 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -41.53 -41.18 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.4 -35.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.41 -45.33 91.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.77 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 49' ' ' TYR . 8.9 m0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.2 p -132.69 148.59 52.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.9 mp -37.97 -46.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -49.9 -58.0 6.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 24.0 mt-10 -62.17 -52.39 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -46.85 -40.89 14.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.18 -48.11 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.39 -59.87 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -39.88 -48.56 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.84 -56.61 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -38.14 -60.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.27 73.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 11.9 tp -55.29 -19.99 10.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.94 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HD2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 pttt -57.23 -27.92 62.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 26' ' ' LYS . 45.5 m-85 -105.52 -29.62 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 97.34 -141.34 15.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.04 28.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 115.03 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.556 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 8.5 m95 -78.6 -38.6 39.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -60.08 -39.33 85.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -69.6 -49.85 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 37' ' ' LEU . 58.7 mt -60.53 -52.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' ILE . 51.6 p -37.73 -45.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -65.14 -40.44 94.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 tp -54.77 -64.29 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.18 -42.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.01 -43.55 3.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -73.03 -43.08 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 12' ' ' TRP . 4.5 mpt_? -74.73 -178.43 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' LEU . 71.4 p -148.89 151.88 35.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' THR . 85.2 t -33.39 -34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' THR . 41.8 mt -76.07 -60.92 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.59 -50.52 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 41' ' ' ARG . 74.3 t -58.24 -27.22 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -75.74 -42.24 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -73.9 -21.76 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . 0.799 ' CE2' ' CE3' ' A' ' 12' ' ' TRP . 1.7 t80 -84.08 -51.22 7.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.556 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.23 -40.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -81.08 -37.35 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.2 tt0 -63.0 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -131.24 154.47 48.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -145.88 129.16 16.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.27 134.03 6.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -102.4 109.92 21.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -80.34 46.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 -88.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -154.15 157.21 38.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.92 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 m -75.66 113.37 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.8 p -108.49 118.39 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -131.84 157.31 44.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -106.52 171.24 7.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -125.43 151.5 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.2 mt -40.98 -53.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.68 -42.95 46.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.67 -43.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -59.45 -42.87 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 8.9 pt-20 -67.24 -39.67 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 63.5 mt -66.71 -48.58 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.08 -48.62 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.24 -57.31 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.4 -59.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.54 92.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 12.1 tp -53.01 -44.1 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.38 -45.38 22.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.1 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.88 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 67.1 m-85 -72.7 -29.61 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 105.02 -144.95 15.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -86.5 31.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -90.29 114.59 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.51 ' CH2' ' HB3' ' A' ' 50' ' ' ALA . 12.2 m95 -81.94 -43.38 18.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.3 p -50.66 -41.15 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 51.3 mttm -72.7 -59.34 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.8 mt -46.34 -62.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -38.64 -44.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -64.94 -51.85 59.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 tp -44.66 -59.86 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.08 -44.93 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.66 -44.18 2.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -62.31 -51.01 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.53 177.15 9.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 67.9 p -130.91 153.62 48.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.7 t -34.25 -44.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.55 -70.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -40.3 -46.62 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.05 -51.57 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -45.56 -55.35 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -62.31 -62.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 28.7 t80 -39.22 -45.67 1.39 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . . . -37.83 -48.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.416 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.7 ptp85 -80.54 -27.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.0 tt0 -66.23 -36.66 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CE2' ' HD2' ' A' ' 57' ' ' LYS . 22.8 t80 -60.63 -59.13 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -53.37 -51.44 62.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -39.18 -41.69 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' LYS . 22.2 t-20 -76.3 -49.38 17.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' ASN . 22.4 mtpp -34.91 -50.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.6 p -105.95 123.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -41.4 148.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.4 p -38.71 129.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.67 -89.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.8 mp -48.86 -41.29 32.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -53.83 -42.01 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm 59.89 41.77 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -121.58 129.93 53.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.7 146.07 35.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 111.186 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.88 3.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.92 167.86 14.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -166.56 178.25 6.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -60.29 113.9 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.6 p -75.72 150.47 37.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -65.19 145.39 56.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p -61.84 161.29 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.19 -120.61 0.96 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -89.3 -57.22 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -58.52 114.45 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.51 -168.44 41.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -132.59 103.97 6.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -163.92 128.17 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -116.69 116.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.66 132.91 19.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.476 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 12.5 m95 -105.93 173.6 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ILE . 47.2 p -130.53 140.8 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 13' ' ' THR . 5.3 mp -36.52 -55.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -42.67 -55.07 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 41' ' ' ARG . 50.2 mt-10 -64.7 -53.56 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -40.34 -39.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.6 -56.74 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.46 -54.88 10.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -39.62 -59.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' GLN . 8.2 mt-10 -47.55 -58.14 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -37.37 -61.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.49 92.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 6.9 tp -59.44 -40.0 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.63 21.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -70.4 -61.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -76.01 -27.21 57.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 102.58 -142.87 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.424 ' HD2' ' CH2' ' A' ' 31' ' ' TRP . 7.3 mmm-85 -85.03 32.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -90.34 117.3 28.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.424 ' CH2' ' HD2' ' A' ' 29' ' ' ARG . 11.6 m95 -83.72 -41.28 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.5 m -58.49 -42.17 86.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.145 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -68.81 -56.66 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 68.5 mt -51.81 -56.35 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.4 p -38.27 -43.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -64.8 -49.48 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 tp -45.83 -43.03 13.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.42 -43.11 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.24 -47.55 2.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -57.35 -47.23 82.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' CZ ' ' OE1' ' A' ' 16' ' ' GLU . 4.9 mmt-85 -85.39 179.09 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.3 p -131.81 153.18 50.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.2 t -38.31 -42.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -65.09 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.04 -47.16 22.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 79.9 t -61.98 -56.37 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' VAL . 7.4 mtpm? -34.5 -60.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t -60.91 -53.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 1.7 t80 -42.85 -53.76 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.404 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . . . -38.26 -34.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -83.1 -37.56 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.4 tt0 -61.22 -42.2 98.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.504 ' CZ ' ' HD3' ' A' ' 57' ' ' LYS . 23.7 t80 -52.57 -61.63 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -46.24 -41.41 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -64.04 -31.12 72.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -84.29 -24.82 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.504 ' HD3' ' CZ ' ' A' ' 53' ' ' TYR . 19.9 mmmt -46.49 173.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.3 p 39.77 27.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -41.21 162.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.7 m 49.07 44.85 23.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.62 -95.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.7 mt -83.1 42.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 t70 56.78 40.72 28.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -85.22 -58.71 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -91.67 175.9 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 t -128.08 144.19 50.7 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.591 0.71 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' ASN . 53.4 Cg_endo -69.8 -21.1 33.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.268 . . . . 0.0 112.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 67' ' ' PRO . 17.1 p30 36.11 40.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.459 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 5.5 tp60 -116.8 156.26 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.459 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 2.6 tppp? -160.55 134.98 7.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.5 m -54.73 99.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -157.26 173.43 16.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 t -106.26 94.26 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.61 115.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -153.08 127.6 9.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.5 p -102.16 131.0 48.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.43 125.32 0.82 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -67.3 93.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.939 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 t -79.4 92.49 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.4 110.68 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -102.91 139.64 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -87.85 142.02 28.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 p -96.97 158.76 15.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.8 mp -55.51 -51.02 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -53.96 -19.39 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -94.05 -47.63 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -56.28 -29.56 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.45 -37.78 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 mt -70.88 -39.85 72.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -55.91 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.05 -51.43 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -40.68 -56.02 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 -32.61 68.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.41 -38.15 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.56 -40.53 25.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.48 -64.37 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 20.4 m-85 -71.65 -28.52 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.77 -129.82 10.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -96.84 19.36 12.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.92 107.6 11.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.408 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.0 m95 -72.5 -31.44 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.0 p -67.34 -51.32 53.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 8.5 mptt -56.46 -47.24 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.8 mt -63.76 -60.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -67.45 -46.06 74.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.26 -43.01 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.0 mt -76.73 -48.4 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.56 -40.43 2.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -63.19 -50.63 69.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -87.03 173.59 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.6 p -124.0 151.95 43.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' THR . 95.4 t -35.68 -44.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 mt -62.89 -63.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -45.66 -44.96 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 -52.32 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 47.2 mttt -43.36 -47.18 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.5 t -71.2 -60.78 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.2 t80 -40.75 -50.46 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -35.5 -41.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -76.47 -41.73 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.6 tt0 -59.1 -45.3 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -50.96 -57.65 8.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -68.47 -32.04 71.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -45.81 -45.72 15.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 10.0 t-20 -69.58 -48.96 58.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 6.8 mptt -37.8 -64.51 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -125.75 99.36 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -53.42 168.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.6 t -91.91 97.93 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.417 ' C ' HD22 ' A' ' 62' ' ' LEU . . . -151.28 -87.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 61' ' ' GLY . 3.2 mm? -109.78 90.57 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -124.36 147.18 48.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -104.65 82.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -175.02 134.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.57 147.43 33.15 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.547 0.689 . . . . 0.0 111.156 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -22.82 31.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -118.38 -175.08 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 pm0 -101.76 -17.53 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 161.06 21.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.3 t -69.14 148.12 50.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -53.22 95.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -86.23 111.12 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.14 60.2 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 m -89.48 42.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.798 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -65.14 113.19 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.49 132.91 1.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -87.95 162.7 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -163.06 134.72 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 40.4 t -93.72 49.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -122.92 148.91 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.45 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.2 m0 -119.11 155.53 31.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -103.85 145.55 29.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.2 mp -46.89 -43.98 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.04 -39.56 63.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.6 mt-10 -77.97 -55.16 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLU . 50.1 mttt -37.9 -44.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.42 -52.14 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.35 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 8.1 t80 -39.55 -57.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.37 -48.48 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -44.88 -54.32 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.84 -28.62 68.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.42 -31.56 72.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.02 -36.2 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -73.07 -63.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -77.02 -26.49 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 -139.07 14.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 mmt-85 -90.04 31.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -92.07 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -79.95 -40.85 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 76.0 p -57.18 -34.75 68.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -77.57 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.9 mt -48.13 -54.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 t -38.92 -51.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -56.85 -45.13 82.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.62 -58.61 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.61 -50.56 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.16 -45.67 3.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -61.88 -45.58 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -92.32 174.27 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 p -123.55 160.0 27.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.4 t -39.53 -44.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.06 -70.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.86 -50.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' LYS . 69.6 t -58.24 -56.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 46' ' ' VAL . 23.1 mttm -37.0 -59.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' TYR . 49.0 m -59.57 -67.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 t80 -34.81 -45.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.1 -51.55 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -75.81 -25.94 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 tm0? -68.79 -36.83 78.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' LYS . 22.3 t80 -63.8 -66.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.435 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 53.8 m-85 -36.58 -29.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' TYR . 12.5 ttpt -78.59 -49.62 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' TYR . 4.0 m-20 -66.35 -18.58 65.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 58' ' ' VAL . 40.5 mtpt -51.63 -175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' LYS . 1.3 p -33.97 109.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' VAL . 7.3 ptmm? -34.91 138.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -87.58 178.95 6.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.99 -42.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.0 mt -124.94 95.96 4.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -75.68 -44.11 43.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -146.18 150.73 36.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.25 154.49 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.5 p -138.26 144.35 42.76 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.612 0.72 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.76 2.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.704 2.27 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -64.03 170.74 3.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -80.02 78.22 6.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -52.36 152.96 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.7 m 69.81 41.52 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 58.88 53.53 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -126.94 135.64 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.53 -111.17 0.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -58.99 -45.32 90.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -101.29 42.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.88 109.39 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -98.14 148.0 24.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.886 0.374 . . . . 0.0 110.941 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -96.97 118.58 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.15 119.41 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 131.29 10.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.41 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 9.3 m95 -82.61 153.92 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.4 p -107.66 137.21 46.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' THR . 38.6 mm -34.38 -48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.13 -51.99 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -62.16 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -38.68 -45.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.6 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.66 -48.51 80.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -47.11 -51.06 18.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLN . 10.0 mt-10 -56.82 -56.98 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLU . 3.0 tt0 -36.77 -61.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -36.5 91.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 13.7 tp -54.28 -39.18 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.78 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.07 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -67.53 -64.01 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -75.23 -29.51 60.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 106.12 -139.67 14.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -86.7 29.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.62 116.98 26.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.436 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 8.0 m95 -81.1 -41.81 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -57.06 -45.23 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -64.75 -52.31 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.6 mt -57.39 -58.2 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 p -41.96 -45.59 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -62.67 -53.25 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.9 -52.69 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.83 -47.31 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.74 -45.75 3.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -62.16 -52.77 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 49.1 mmt-85 -77.71 172.75 12.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -125.92 149.88 48.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' THR . 94.8 t -36.16 -45.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.52 -62.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -47.74 -42.82 26.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.74 -53.72 38.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 37.1 mtmt -41.51 -60.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -58.64 -58.59 7.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.2 t80 -41.03 -50.0 3.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -39.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -76.81 -41.06 45.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tt0 -55.55 -45.55 77.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -57.72 -47.77 81.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -64.91 -51.23 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -52.4 -36.21 53.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' LYS . 10.9 m-20 -68.52 -50.58 51.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' ASN . 34.1 mttm -34.26 -50.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 9.9 p -108.55 127.18 65.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.16 148.77 23.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.7 m -89.89 -49.63 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.91 -41.15 1.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -31.77 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 63' ' ' ASP . 2.4 t0 -88.69 96.59 10.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 166.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -139.04 136.21 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 t -142.07 144.3 31.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.523 0.678 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 103.15 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -52.86 156.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -142.63 155.88 45.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -60.11 109.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.6 m -102.05 125.98 48.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -77.83 95.86 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -124.77 129.22 50.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.45 -66.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -161.14 151.36 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.376 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -46.84 119.07 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.15 -120.48 2.73 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -149.08 162.96 38.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.904 0.383 . . . . 0.0 110.909 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 t -147.68 116.29 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -93.54 54.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -107.41 133.38 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.12 163.03 16.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' ILE . 68.9 p -115.07 138.04 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.1 mp -33.98 -59.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' ILE . 10.3 tp10 -35.94 -47.85 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -54.83 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.23 -40.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.46 -59.18 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.95 -43.55 66.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -52.71 -44.76 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.8 -53.32 27.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -38.84 -55.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.3 -26.81 67.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.1 tp -63.62 -35.29 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.46 -34.33 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -76.31 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.501 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 47.6 m-85 -79.07 -28.13 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.7 -137.05 13.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -93.12 23.12 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -79.56 115.12 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.99 -36.35 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -58.66 -38.14 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 34.7 mttt -75.82 -62.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 75.1 mt -44.85 -47.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -42.19 -54.96 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -56.48 -55.7 30.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -39.84 -57.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -49.04 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.33 -46.05 3.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.6 t -60.16 -55.49 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -75.66 177.87 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -133.89 149.53 51.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' THR . 85.7 t -34.56 -43.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.97 -61.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -50.76 -45.16 58.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.77 -50.57 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -47.26 -58.45 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.4 m -60.26 -59.09 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.0 t80 -41.83 -53.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.583 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -34.02 -36.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.4 mtt180 -80.87 -44.75 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -54.09 -39.4 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -60.8 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 52.8 m-85 -42.83 -44.32 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -71.33 -40.71 70.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -68.61 -23.81 64.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.0 mtmp? -50.43 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.433 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 14.0 p 37.4 28.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -50.04 173.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.2 m -64.09 90.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.26 -53.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mt 56.68 43.62 25.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.08 166.28 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -76.49 144.91 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -160.24 129.61 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.0 p -61.42 147.2 88.19 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.579 0.704 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.02 7.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -41.55 117.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -142.57 162.96 34.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -76.6 157.7 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.7 m -126.0 -39.33 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.096 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.55 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -135.14 172.55 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 p -128.14 161.18 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.92 134.06 2.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -77.66 106.52 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -45.53 163.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.54 133.73 2.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 t80 62.4 41.41 10.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 110.911 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.9 m -96.54 110.29 22.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.8 p -106.82 117.94 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -119.0 146.58 44.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 9.9 m0 -92.4 162.58 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 p -118.78 153.86 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' GLU . 5.1 mp -41.48 -59.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ILE . 24.3 tt0 -37.27 -64.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.7 -54.65 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -44.49 -40.01 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.98 -49.09 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.97 -53.4 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -42.3 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 2.2 mp0 -55.87 -59.9 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 40.2 mt-30 -36.48 -62.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.11 73.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.06 -38.05 87.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.45 -39.12 20.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -69.78 -63.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -77.5 -29.27 52.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 -142.81 15.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -86.7 29.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -85.02 110.55 19.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -80.09 -39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.0 p -55.38 -38.68 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -75.36 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -46.68 -58.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.5 p -40.64 -45.18 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -64.4 -46.71 82.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.77 -49.72 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.15 -42.51 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.86 -62.3 3.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.8 t -56.05 -36.94 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -87.29 178.59 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -141.28 153.92 45.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.1 t -35.01 -44.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.75 -66.49 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -44.17 -49.04 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.22 -54.11 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -39.69 -59.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 49' ' ' TYR . 12.0 t -61.36 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.3 t80 -34.51 -48.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.53 -54.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -72.53 -27.53 62.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.8 tt0 -68.34 -35.34 77.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.15 -43.56 95.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -68.98 -34.01 74.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -56.8 -32.74 65.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 57' ' ' LYS . 8.7 t-20 -75.07 -50.0 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 56' ' ' ASN . 28.1 mttm -34.61 -59.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.433 HG22 ' N ' ' A' ' 59' ' ' LYS . 6.8 p -129.08 146.59 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.433 ' N ' HG22 ' A' ' 58' ' ' VAL . 5.3 mptt -74.12 86.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.45 153.15 52.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -166.71 85.26 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.65 76.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -99.59 93.21 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -106.6 86.43 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -142.47 106.48 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 t -126.32 144.06 48.01 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 111.184 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 138.63 38.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -126.0 89.42 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -168.4 127.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -137.21 145.04 43.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.464 ' N ' ' HD2' ' A' ' 70' ' ' LYS . 9.8 t -172.8 144.97 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 p -66.96 172.86 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -114.59 97.92 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.798 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.08 159.62 20.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -173.98 166.55 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -108.16 -44.73 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.41 -90.52 1.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -158.1 122.02 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -108.96 161.82 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -112.95 116.48 52.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.52 153.61 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 11.1 m95 -96.04 143.86 26.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.9 p -95.99 152.87 18.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.26 -48.5 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -49.23 -53.89 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -63.98 -51.06 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.38 -48.33 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.15 -58.24 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 mt -49.25 -53.23 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -39.81 -51.92 2.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' LEU . 2.6 mm-40 -63.44 -60.04 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' GLU . 59.4 mt-30 -35.22 -48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.5 -30.62 44.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.1 tp -65.2 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -52.45 15.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -55.36 12.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -71.64 -30.01 65.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 95.33 -106.59 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -117.56 29.64 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -91.22 112.18 23.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.553 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.2 m95 -79.45 -43.65 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.9 p -51.87 -42.15 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -71.45 -60.65 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.1 mt -48.02 -56.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -41.03 -43.68 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -62.77 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.03 -58.45 5.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.1 mt -65.71 -48.16 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.81 -43.79 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -60.43 -45.41 93.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -90.91 147.58 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.434 ' HG1' ' NE2' ' A' ' 45' ' ' GLN . 73.7 p -95.71 151.37 19.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.9 t -38.26 -42.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.38 -62.02 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' NE2' ' HG1' ' A' ' 42' ' ' THR . 0.5 OUTLIER -47.39 -43.18 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.2 -46.44 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.553 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 43.0 mttt -44.56 -45.46 9.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' TYR . 48.0 m -72.89 -67.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.3 t80 -36.42 -46.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' HB3' ' CZ3' ' A' ' 31' ' ' TRP . . . -37.58 -48.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.9 ptp180 -79.48 -29.65 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 2.8 tt0 -65.13 -36.29 83.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 55' ' ' LYS . 24.3 t80 -62.15 -64.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' TYR . 61.4 m-85 -38.29 -27.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 53' ' ' TYR . 5.6 tttp -82.06 -54.35 5.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -59.02 -31.27 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HE2' ' CZ ' ' A' ' 53' ' ' TYR . 4.6 mtpm? -40.07 160.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.5 t 60.81 46.22 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.115 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -64.45 127.1 30.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.6 m 61.53 43.16 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.1 -71.45 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.66 -59.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.3 115.42 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -111.44 46.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -119.95 130.97 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.6 p -152.62 144.49 16.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 112.8 3.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.39 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -98.79 118.83 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -128.04 168.24 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -116.91 134.74 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.0 t -56.34 -42.76 78.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.467 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -106.34 126.61 52.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.8 m -111.12 99.18 8.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.21 70.28 1.04 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t 71.27 36.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -123.21 114.51 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.03 48.05 50.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -99.09 126.24 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p -118.11 128.36 54.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -114.46 118.68 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -153.67 141.06 19.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.453 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.3 m95 -76.75 137.41 39.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -92.19 149.89 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mm -42.42 -47.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -50.29 -51.63 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.09 -57.17 14.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -44.46 -42.53 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -63.68 -50.47 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.18 -55.82 29.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -45.48 -49.71 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.16 -52.89 63.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -38.56 -50.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.38 -46.62 14.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.9 tp -43.47 -32.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.91 -36.55 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -78.69 -64.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.481 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 24.6 m-85 -72.39 -29.08 63.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.56 -121.68 7.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -92.84 -22.02 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 30' ' ' ARG . 6.9 mmp_? -45.53 110.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.545 ' CH2' ' HB2' ' A' ' 50' ' ' ALA . 21.2 m95 -76.65 -58.09 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 31' ' ' TRP . 37.4 p -35.3 -54.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 97.9 mttt -57.75 -55.3 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' SER . 64.2 mt -52.91 -59.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' ILE . 15.0 t -35.12 -49.96 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -55.76 -54.3 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.9 tp -42.59 -50.83 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.31 -55.84 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.44 3.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.2 m -66.45 -41.87 88.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.474 ' CZ ' ' NE2' ' A' ' 45' ' ' GLN . 5.2 mmp_? -84.47 -175.39 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.8 p -137.55 150.86 47.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -38.7 -38.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.5 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' A' ' 41' ' ' ARG . 21.0 mt-30 -49.11 -40.39 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' LYS . 65.0 t -68.24 -57.41 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 46' ' ' VAL . 53.9 mttm -37.8 -61.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 m -57.74 -64.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 52' ' ' GLN . 37.0 t80 -37.29 -46.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . . . -36.05 -48.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -76.23 -32.28 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tm0? -61.7 -45.5 93.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -52.12 -55.95 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -67.12 -39.18 86.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -53.49 -40.99 65.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' LYS . 66.9 t30 -67.41 -49.6 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' ASN . 35.0 mttm -35.2 -57.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.58 109.54 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' NZ ' ' HA ' ' A' ' 56' ' ' ASN . 6.9 mmpt? -56.44 169.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.8 m 39.17 48.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.65 -152.98 29.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.433 ' O ' ' CD1' ' A' ' 62' ' ' LEU . 4.4 pp -85.35 32.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.51 -59.14 3.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -128.38 122.99 32.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.61 156.38 39.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.7 p -137.67 151.29 70.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.557 0.694 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.31 18.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -91.52 139.68 30.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.57 144.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -79.41 148.35 31.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.6 m -113.84 119.47 37.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -88.88 123.53 33.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -136.42 162.5 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.8 98.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -163.9 133.76 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.896 0.379 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -95.55 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.87 -50.36 1.22 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -149.97 120.39 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.922 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -122.33 151.35 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 9.2 m -94.36 110.77 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -144.06 143.62 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -106.17 177.6 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.22 142.1 46.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.3 mt -49.95 -31.67 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 2.6 pt-20 -65.38 -35.69 81.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 74.4 mt-10 -85.22 -54.77 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -44.73 -44.09 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -58.44 -36.01 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -74.66 -36.9 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -60.14 -46.81 88.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.54 -43.33 85.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -46.67 -56.28 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.14 -41.49 53.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 tp -45.56 -32.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.958 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.75 -34.8 39.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' HD3' ' C ' ' A' ' 26' ' ' LYS . 11.6 tmtt? -81.13 -63.29 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -72.19 -27.84 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.73 -103.99 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.506 ' O ' ' CE3' ' A' ' 31' ' ' TRP . 52.6 mtt-85 -115.14 -17.63 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -45.32 110.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 29' ' ' ARG . 11.6 m95 -76.97 -50.94 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.8 p -45.1 -38.41 5.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.08 -47.71 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 59.4 mt -60.84 -60.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' ILE . 18.2 p -37.35 -37.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -63.94 -45.39 89.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' ILE . 14.7 tp -52.31 -50.86 61.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.77 -55.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.15 -37.26 2.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.9 t -66.04 -44.49 84.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.88 -178.3 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' VAL . 62.7 p -129.3 152.54 48.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' CG1' ' HE3' ' A' ' 47' ' ' LYS . 70.3 t -36.1 -43.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.28 -59.99 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' N ' HE21 ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.47 -41.34 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.26 -29.21 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HE3' ' CG1' ' A' ' 43' ' ' VAL . 74.3 mttt -77.11 -37.39 54.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.4 p -80.38 -17.64 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.0 t80 -84.66 -46.67 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -39.85 -39.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -36.67 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.7 tt0 -60.58 -43.8 96.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -55.9 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 58.1 m-85 -48.92 -42.74 38.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -60.19 -34.72 74.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -72.21 -1.83 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -118.94 -66.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.447 ' CG1' ' HA2' ' A' ' 61' ' ' GLY . 86.5 t -106.24 104.25 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 60' ' ' CYS . 39.7 mtpt -75.72 125.45 29.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' LYS . 28.3 p 34.97 42.5 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.447 ' HA2' ' CG1' ' A' ' 58' ' ' VAL . . . 63.94 -146.24 50.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.68 41.34 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.79 0.329 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.6 158.73 19.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -37.85 152.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.93 167.35 21.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.6 t -61.74 143.13 94.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 177.85 5.12 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -87.95 107.75 18.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -45.46 110.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -119.73 88.09 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 p -75.86 -46.6 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -125.61 150.55 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -88.41 161.16 17.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.52 111.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -138.2 161.36 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -101.4 166.43 10.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.03 108.9 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 61.91 42.48 10.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -101.99 129.29 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.2 t -97.87 51.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -75.53 155.13 36.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 41' ' ' ARG . 7.9 m0 -79.03 147.09 32.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 153.66 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.2 mt -46.3 -50.34 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -50.75 -36.23 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.28 -34.89 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -71.44 -28.22 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -84.28 -43.29 14.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.09 -50.02 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CE1' HD21 ' A' ' 24' ' ' LEU . 2.1 t80 -42.46 -51.94 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.65 -53.46 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -38.21 -57.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.21 -31.24 59.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.523 HD21 ' CE1' ' A' ' 20' ' ' PHE . 9.5 tp -58.37 -24.59 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.78 -29.35 16.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -80.77 -59.67 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.521 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 57.8 m-85 -82.18 -21.95 36.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.92 -125.17 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 46.8 mtt180 -97.86 2.68 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -58.92 105.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.487 ' CD2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m95 -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.8 p -50.96 -39.28 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 49.4 mttt -76.54 -60.92 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -42.14 -51.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -50.88 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -58.83 -37.29 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.92 -59.92 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.41 -47.7 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.37 -39.05 2.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.4 t -65.28 -46.65 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 29.8 mmt180 -90.7 160.97 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' VAL . 63.4 p -116.2 152.23 34.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' THR . 96.9 t -34.02 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -68.66 -67.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -44.97 -35.5 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.92 -59.34 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -38.26 -41.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -71.47 -56.72 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.3 t80 -48.12 -42.33 28.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 52' ' ' GLN . 3.7 ptt85 -77.39 -35.68 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.2 tt0 -65.22 -27.53 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.451 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 34.3 t80 -67.59 -58.2 5.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -55.3 -34.21 63.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -67.09 -64.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -49.99 -46.88 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 4.8 mtmp? -37.47 -62.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.0 95.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -117.24 165.32 13.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 p -124.27 147.44 48.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 -50.52 1.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.504 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.4 mt -128.66 93.24 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -85.78 142.42 28.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.05 105.59 15.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.18 178.25 7.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.49 144.65 51.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.632 0.729 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 123.83 10.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -78.15 143.22 37.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -163.15 135.39 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.8 139.02 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -70.0 118.45 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -84.61 42.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -141.03 127.11 19.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.43 40.01 1.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -92.99 115.96 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -105.99 -51.99 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.45 -104.44 2.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' O ' ' CG ' ' A' ' 8' ' ' TYR . 8.4 p90 -61.81 121.53 13.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -102.62 150.01 23.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.408 ' O ' ' CG2' ' A' ' 10' ' ' VAL . 33.1 m -90.36 110.06 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -126.56 143.16 51.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.498 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 5.9 m95 -111.9 139.17 47.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.9 p -80.64 159.67 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.6 mp -52.81 -53.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.54 -58.36 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.498 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 54.9 mm-40 -46.7 -51.16 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -51.67 -42.45 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -73.16 -61.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -47.58 -56.31 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.4 t80 -41.81 -47.05 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.8 mt-10 -66.53 -55.82 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' GLU . 6.6 tt0 -37.81 -57.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.51 -34.99 67.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 12.7 tp -52.21 -22.09 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.74 -66.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.55 ' HD2' ' CE2' ' A' ' 27' ' ' PHE . 2.5 ptpp? -53.37 -28.32 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' ' HD2' ' A' ' 26' ' ' LYS . 60.2 m-85 -104.26 -29.98 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 94.84 -141.24 15.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -88.1 30.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -91.81 108.21 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CH2' ' HB2' ' A' ' 50' ' ' ALA . 7.3 m95 -71.07 -43.4 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 p -57.66 -39.77 77.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.132 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -68.47 -48.64 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' SER . 47.6 mt -60.96 -58.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ILE . 90.8 p -34.8 -42.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -64.46 -54.08 38.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -40.86 -56.73 2.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.3 mt -66.91 -46.19 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.43 -43.3 2.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -61.74 -48.19 81.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' CG ' ' OE1' ' A' ' 16' ' ' GLU . 2.9 mmp_? -83.08 -177.74 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' VAL . 71.6 p -136.87 152.54 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 42' ' ' THR . 95.3 t -33.99 -48.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.28 -71.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -39.53 -44.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 47' ' ' LYS . 93.2 t -63.05 -62.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' VAL . 48.2 mtpt -34.38 -45.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -51.0 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.8 t80 -60.58 -41.45 94.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.566 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . . . -42.32 -43.06 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 3.2 ptt180 -86.02 -31.72 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 3.0 tt0 -64.37 -30.74 71.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.4 -52.63 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.433 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . 46.3 m-85 -57.94 -39.69 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -56.03 -37.79 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' LYS . 10.7 m-80 -77.42 -37.0 52.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 54' ' ' PHE . 18.2 mmmt -36.38 154.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.1 t 68.86 48.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -76.26 161.72 28.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.8 t -47.17 112.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -163.51 -124.23 0.7 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 62' ' ' LEU . 3.8 mm? -114.92 -54.16 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -40.35 116.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 65' ' ' GLU . 1.2 tmmt? -142.27 143.96 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.449 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 14.0 tm-20 -162.9 125.01 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.0 p -97.11 144.41 27.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.584 0.707 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 159.52 53.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.31 40.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -145.0 147.64 32.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' CD ' ' C ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -43.6 104.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.7 p -37.26 -51.47 1.04 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' C ' ' CD ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p -135.1 137.98 43.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -78.09 152.11 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.52 132.21 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -80.37 -55.62 4.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -101.41 99.11 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.58 82.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -104.62 163.67 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 p -126.03 153.93 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' O ' ' CG1' ' A' ' 10' ' ' VAL . 46.5 t -95.6 50.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 160.16 31.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 41' ' ' ARG . 6.9 m95 -133.52 175.03 9.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 p -133.75 151.01 51.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.4 mp -43.72 -49.34 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -40.32 -44.79 2.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.481 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -80.74 -58.92 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' GLU . 38.3 mtpt -35.67 -41.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.63 -60.29 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' PHE . 75.2 mt -54.94 -60.23 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' LEU . 8.2 t80 -36.31 -57.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -56.95 -57.77 11.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -39.89 -57.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.48 91.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.439 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.87 -38.21 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.67 -39.27 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -71.28 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 39.9 m-85 -74.69 -27.49 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.95 -142.24 15.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -89.48 30.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -89.31 117.25 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -82.3 -35.64 27.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -37.93 87.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.447 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 15.6 mmmt -76.05 -49.11 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 70.9 mt -58.25 -53.36 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 43' ' ' VAL . 25.0 t -41.33 -52.01 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -57.16 -46.11 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -59.9 -43.1 95.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.442 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 44.1 mt -67.2 -38.04 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.25 -65.05 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -59.42 -58.49 8.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.637 HH21 ' NE2' ' A' ' 45' ' ' GLN . 2.0 tpm_? -71.28 138.42 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -98.32 152.19 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' THR . 98.7 t -33.81 -43.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.05 -62.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.637 ' NE2' HH21 ' A' ' 41' ' ' ARG . 19.8 mt-30 -49.01 -41.69 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.63 -51.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -43.26 -52.7 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.32 -64.01 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 52' ' ' GLN . 42.6 t80 -38.49 -45.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -53.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -74.27 -26.31 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' TYR . 14.0 tm0? -68.48 -33.09 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -63.77 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -57.48 -42.73 83.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -44.53 -45.5 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' LYS . 33.5 m-20 -62.7 -55.04 30.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.452 ' N ' ' HE3' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -34.31 -65.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.4 t -118.88 136.87 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -89.7 148.61 23.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.4 m -104.56 -60.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -103.41 132.48 11.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.04 -31.0 55.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.54 85.83 5.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -120.08 148.49 43.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -88.14 152.79 21.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.2 p -141.72 152.57 63.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 111.18 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.41 53.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -58.92 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -137.57 150.91 47.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 147.4 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -56.45 -39.48 73.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -103.1 83.09 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -70.3 176.4 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.78 99.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -108.77 88.73 2.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -96.18 41.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.62 -104.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -97.55 136.96 37.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' VAL . 2.8 m -114.8 81.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' SER . 29.4 m -34.11 106.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.4 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -104.77 170.3 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -108.72 156.11 19.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -114.94 149.09 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mm -39.91 -49.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -49.67 -55.14 14.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -52.29 -47.76 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -57.27 -46.43 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.7 mt -58.25 -46.45 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -52.67 -44.33 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -64.14 -57.58 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 5.5 tt0 -35.37 -56.77 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.41 55.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.431 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 10.5 tp -43.2 -39.68 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.74 -39.97 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.71 -63.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -71.0 -29.94 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 100.81 -102.58 2.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -119.49 31.7 6.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.0 mtt-85 -93.52 116.97 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -82.2 -40.45 21.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.5 m -55.53 -41.42 73.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 33.4 mmtt -70.73 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.1 mt -40.75 -44.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.9 m -55.94 -38.35 70.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.24 -41.56 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.75 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.86 -55.3 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -39.46 3.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.6 m -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.407 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.3 mmp_? -92.13 173.09 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 p -121.92 159.39 26.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.3 t -41.87 -37.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -64.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.407 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 40.4 mm-40 -47.84 -45.52 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.26 -44.23 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.7 mtpt -55.38 -54.25 46.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -63.98 -52.51 59.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 t80 -47.48 -49.67 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.2 -36.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -80.71 -40.79 24.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.9 tt0 -60.42 -39.99 89.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.523 ' CE2' ' HE2' ' A' ' 57' ' ' LYS . 28.7 t80 -52.72 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -51.5 -45.24 62.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -52.91 -45.0 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 57' ' ' LYS . 25.5 m-20 -70.58 -50.45 37.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.523 ' HE2' ' CE2' ' A' ' 53' ' ' TYR . 17.2 mtmt -34.41 -62.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -88.22 119.06 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -109.27 41.58 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 52.0 t -50.8 103.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.32 -72.13 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 pp -169.21 119.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.951 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -114.5 -59.38 2.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 tttt 49.95 41.01 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.38 139.3 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 t -54.94 143.37 52.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.554 0.693 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.99 15.32 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.239 . . . . 0.0 112.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -151.45 148.16 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.17 95.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -87.94 134.62 33.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.2 m -141.88 128.18 19.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 m -114.76 -47.06 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t 46.4 42.15 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.28 114.67 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -124.56 99.84 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 t -60.03 -62.27 2.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.53 66.3 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -159.05 168.35 26.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.962 0.411 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -141.32 109.37 5.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.4 p -89.83 14.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -38.66 147.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -52.33 161.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -118.33 150.07 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -42.72 -58.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -43.82 -40.03 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -75.07 -44.4 47.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -58.09 -39.54 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 5.9 pt-20 -69.26 -35.45 76.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 25.6 mt -72.51 -46.59 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.44 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.8 t80 -51.46 -48.99 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.5 -54.42 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.51 -56.43 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.41 -27.78 69.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -64.12 -34.94 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.22 -35.57 21.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.54 -61.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -77.13 -28.65 54.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.99 -133.39 11.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -96.64 27.26 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.09 110.19 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 6.5 m95 -80.3 -31.98 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.1 p -68.22 -25.06 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -86.02 -49.66 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.55 -43.38 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 t -52.34 -47.97 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -65.39 -43.06 91.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.71 -56.47 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.9 mt -67.5 -49.99 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.92 -41.1 2.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.7 t -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -99.04 172.09 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.6 p -121.41 156.6 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 78.9 t -38.93 -43.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.48 -65.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -44.37 -50.04 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.48 -52.15 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 24.0 mtpp -44.32 -52.88 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' TYR . 8.2 t -63.08 -68.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' GLN . 24.7 t80 -35.17 -47.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.64 -48.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.57 -32.95 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 tm0? -66.75 -28.56 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -75.95 -54.98 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -54.34 -24.93 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -83.51 -65.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.97 -23.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -42.18 -69.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.3 t -106.98 -0.55 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -162.7 115.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.5 142.34 45.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.31 -94.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.43 79.6 1.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -160.07 169.12 24.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -124.43 111.35 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -143.77 145.52 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.5 p -70.86 144.82 91.09 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.542 0.687 . . . . 0.0 111.149 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.69 31.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -152.6 152.44 31.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.18 156.85 36.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -93.31 142.41 27.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 72' ' ' GLY . 38.3 m -70.48 140.74 51.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.414 ' N ' HG22 ' A' ' 71' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -65.2 84.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m 63.93 48.34 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.9 135.88 3.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -50.63 -57.36 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.815 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -93.8 -45.2 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.65 -80.85 0.28 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -136.76 139.13 41.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.921 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -78.9 135.45 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -95.2 79.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -53.04 146.27 11.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -66.07 169.59 6.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.1 p -117.9 150.42 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.69 -55.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -44.69 -61.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -53.66 40.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -43.58 -40.27 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.11 -60.32 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.7 mt -48.84 -52.92 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -45.05 -50.38 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' LEU . 13.3 mt-10 -59.82 -55.67 31.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -38.1 -58.77 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.37 -18.44 75.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' GLU . 10.6 tp -70.21 -17.37 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -54.29 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -64.48 -44.07 92.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -91.27 -25.2 19.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -132.72 11.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -92.17 21.12 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -76.81 113.61 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.538 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 9.6 m95 -79.79 -45.79 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 73.7 p -53.25 -45.69 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -63.97 -63.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 89.7 mt -43.08 -59.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ILE . 34.6 m -34.54 -53.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -47.44 -44.18 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' ILE . 7.9 tp -56.09 -70.55 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -49.58 -48.24 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.84 -42.64 2.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -63.96 -45.08 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -85.57 172.52 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' VAL . 66.7 p -130.16 152.93 49.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 42' ' ' THR . 89.1 t -34.0 -45.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.36 -66.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -45.18 -52.66 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.06 -43.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 58.5 mttt -56.3 -38.82 71.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.0 p -75.44 -50.21 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.2 t80 -56.34 -51.25 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' CH2' ' A' ' 31' ' ' TRP . . . -34.0 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 mtp-105 -85.9 -49.12 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -50.22 -39.83 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -57.56 -60.98 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 55.0 m-85 -47.8 -43.88 28.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -47.04 -42.44 18.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 57' ' ' LYS . 80.6 m-20 -76.64 -45.76 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' ASN . 15.7 mmmt -34.77 -61.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 59' ' ' LYS . 14.5 p -92.12 119.04 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' VAL . 7.4 mtmp? -37.64 153.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 90.8 m -138.71 142.68 38.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 37.7 -108.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.506 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -114.78 88.32 2.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.938 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.14 151.41 29.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -121.89 -50.52 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -91.25 147.57 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.8 p -134.86 145.34 54.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.591 0.71 . . . . 0.0 111.09 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -178.22 2.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -98.25 38.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -123.39 99.42 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 156.58 22.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.1 m -72.78 105.84 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m 65.87 42.33 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 4' ' ' GLY . 79.7 p -83.82 42.61 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.72 44.24 0.45 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -78.32 101.74 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 m -144.55 151.03 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.47 83.33 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 t80 60.62 49.08 6.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.8 p -118.29 136.53 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 34.2 m -96.4 112.99 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -138.93 153.63 48.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -120.68 149.57 42.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -109.86 153.75 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -43.96 -54.89 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -43.88 -61.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -52.43 -60.27 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -39.9 -48.17 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.49 -48.26 69.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.99 -52.45 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 12.7 t80 -48.37 -49.03 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -40.61 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.1 -49.61 76.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.16 -28.59 61.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 6.6 tp -61.45 -33.26 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.37 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -73.42 -62.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -77.95 -28.86 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.68 -143.03 15.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -86.83 29.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -90.98 114.69 27.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.501 ' CH2' ' HB3' ' A' ' 50' ' ' ALA . 7.7 m95 -79.56 -41.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -57.22 -34.24 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -77.15 -53.38 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.82 -50.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t -42.47 -45.6 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.2 tp -50.12 -45.39 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.7 mt -76.44 -53.09 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.31 2.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -65.43 -41.56 93.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.47 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 1.8 mmp_? -97.3 169.97 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.6 p -116.85 156.2 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' CG1' ' HE2' ' A' ' 47' ' ' LYS . 76.0 t -38.11 -41.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.37 -69.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 41.9 mm-40 -40.8 -40.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' TYR . 99.5 t -67.5 -58.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HE2' ' CG1' ' A' ' 43' ' ' VAL . 34.2 mttm -42.47 -35.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -80.15 -29.42 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.3 t80 -76.62 -53.16 8.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.501 ' HB3' ' CH2' ' A' ' 31' ' ' TRP . . . -36.99 -44.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -80.73 -34.41 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm0? -60.65 -46.06 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 27.5 t80 -49.76 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -37.87 -35.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -59.52 -54.17 49.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.508 ' OD1' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -54.06 -50.16 67.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' A' ' 56' ' ' ASN . 12.8 mtmm -34.55 -54.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.8 p -136.56 109.62 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.67 171.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.8 t -113.5 -56.63 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.87 -145.88 9.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.12 87.37 2.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.805 0.336 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -174.23 114.22 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -93.8 110.82 22.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -92.45 -27.6 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.1 t -170.18 140.99 1.66 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 111.187 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 173.98 10.14 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -111.04 127.45 55.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -161.33 122.05 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 71' ' ' THR . 1.4 tmtp? -111.74 139.98 46.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.426 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 40.9 m -103.55 93.72 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' GLY . 53.3 m -34.59 127.83 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -55.74 122.43 11.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.9 -172.97 21.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m 43.64 41.89 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -129.85 114.46 15.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.52 137.07 2.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -95.07 158.26 15.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.934 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 10' ' ' VAL . 6.3 t -81.74 110.84 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 9' ' ' SER . 21.8 t -33.96 107.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -153.96 138.91 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.534 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 20.3 m95 -55.49 168.01 0.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' ILE . 46.5 p -142.49 149.07 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' THR . 35.7 mt -35.6 -55.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -43.02 -55.25 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.04 -57.45 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -39.1 -40.82 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.06 -59.66 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.8 mt -49.92 -44.01 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -52.02 -46.78 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' GLN . 3.6 mm-40 -67.32 -54.66 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . 2.1 tt0 -36.89 -52.83 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.59 -31.32 60.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -56.59 -23.47 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.65 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.551 ' HE2' ' CZ ' ' A' ' 27' ' ' PHE . 19.2 ptmt -58.58 -47.95 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.551 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 37.8 m-85 -82.94 -29.13 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.15 -135.28 12.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -90.44 12.6 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mmt-85 -71.32 115.42 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.457 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 13.8 m95 -82.78 -39.02 22.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.9 p -54.68 -41.01 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.46 -60.19 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -46.66 -51.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 t -46.64 -43.34 17.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -67.4 -46.03 74.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.24 -55.95 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.35 -42.67 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.4 -59.1 4.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -50.35 -42.98 53.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 8.3 mmt-85 -83.53 179.3 7.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.2 p -134.77 155.96 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -38.0 -44.57 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -64.42 -69.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -41.39 -47.0 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 87.0 t -62.51 -48.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.457 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 9.4 mtpm? -51.99 -39.77 59.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.3 t -71.18 -60.56 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 t80 -41.71 -44.17 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.14 -45.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -72.28 -33.53 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tt0 -65.2 -35.34 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.15 -60.54 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.76 -24.27 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -71.87 -49.45 37.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' LYS . 21.9 t30 -55.26 -51.59 66.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' ASN . 17.4 mtmm -34.28 -65.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.4 p -107.51 121.94 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -94.71 147.41 23.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.5 t -122.46 139.54 53.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.99 125.06 0.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.95 -38.98 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -136.31 164.11 28.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -163.47 121.82 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.06 83.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 67' ' ' PRO . 83.9 m -154.32 139.16 11.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.567 0.699 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 66' ' ' THR . 54.1 Cg_endo -69.7 87.97 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.742 2.295 . . . . 0.0 112.352 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -41.96 -43.55 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -152.36 133.18 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -166.39 156.52 12.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 72' ' ' GLY . 75.8 p -121.51 -31.14 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 p -92.44 42.48 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -126.83 -57.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.1 92.11 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -111.02 115.64 29.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -53.96 -40.54 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.42 167.7 11.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -73.23 161.51 30.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -114.23 143.62 44.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.93 50.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 12' ' ' TRP . 5.5 tppp? -73.49 153.58 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 14.6 m95 -114.76 145.29 42.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 p -95.4 145.53 25.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -44.24 -55.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.72 -56.2 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -40.27 -44.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.9 -50.77 72.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -58.68 -44.43 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.506 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 34.5 t80 -52.76 -56.26 16.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' GLN . 11.6 mt-10 -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -35.59 -57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.05 -45.58 55.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD12 ' CZ ' ' A' ' 20' ' ' PHE . 9.3 tp -45.93 -21.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 -37.83 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -79.99 -57.3 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -79.07 -23.55 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.6 -113.25 4.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -110.28 14.85 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.58 111.44 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.548 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.8 m95 -77.92 -40.2 40.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.8 p -59.16 -28.12 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.64 -57.73 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mt -52.38 -53.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.449 ' CB ' HG22 ' A' ' 43' ' ' VAL . 29.7 t -38.23 -52.41 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.18 -42.54 91.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -49.47 -41.87 41.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.4 mt -83.3 -54.42 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.59 -45.23 3.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -59.89 -37.95 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 6.4 mmp_? -102.06 155.45 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -92.32 171.47 9.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG22 ' CB ' ' A' ' 35' ' ' SER . 27.4 t -64.25 -36.24 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -58.64 -49.27 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -41.79 99.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.26 -25.2 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.513 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 80.9 mttt -78.72 -37.54 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 t -85.36 -18.87 32.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -80.89 -46.25 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.548 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -41.53 -41.18 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.4 -35.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.41 -45.33 91.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.77 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -46.93 -30.51 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -80.78 -42.27 22.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -62.34 -43.49 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -39.61 -61.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.8 t -117.29 127.86 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -125.72 121.42 33.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 93.7 m -46.14 103.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.76 83.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 mt -87.09 81.87 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -91.93 42.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt 61.07 43.19 11.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -95.6 170.24 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 p -92.8 147.52 34.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.571 0.7 . . . . 0.0 111.176 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.87 3.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -134.28 168.1 19.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -125.37 110.31 13.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -53.68 144.95 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.6 m -126.94 144.24 51.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -124.21 -45.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -61.8 110.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.89 173.59 17.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -129.75 -54.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -68.36 154.28 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.99 153.68 6.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 69.39 40.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' VAL . 17.0 m -91.91 42.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' SER . 1.4 m -34.63 106.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -120.63 151.53 39.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 49' ' ' TYR . 8.9 m0 -109.0 171.6 7.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.2 p -132.69 148.59 52.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' THR . 3.9 mp -37.97 -46.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -49.9 -58.0 6.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 24.0 mt-10 -62.17 -52.39 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -46.85 -40.89 14.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.18 -48.11 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.39 -59.87 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 20' ' ' PHE . 0.9 OUTLIER -39.88 -48.56 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.84 -56.61 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -38.14 -60.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.27 73.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 11.9 tp -55.29 -19.99 10.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.94 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.416 ' HD2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 pttt -57.23 -27.92 62.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 26' ' ' LYS . 45.5 m-85 -105.52 -29.62 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 97.34 -141.34 15.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.04 28.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 115.03 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.556 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 8.5 m95 -78.6 -38.6 39.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -60.08 -39.33 85.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -69.6 -49.85 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 37' ' ' LEU . 58.7 mt -60.53 -52.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' ILE . 51.6 p -37.73 -45.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -65.14 -40.44 94.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 tp -54.77 -64.29 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.18 -42.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.01 -43.55 3.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -73.03 -43.08 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HG2' ' CZ2' ' A' ' 12' ' ' TRP . 4.5 mpt_? -74.73 -178.43 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' LEU . 71.4 p -148.89 151.88 35.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 42' ' ' THR . 85.2 t -33.39 -34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' THR . 41.8 mt -76.07 -60.92 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.59 -50.52 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 41' ' ' ARG . 74.3 t -58.24 -27.22 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -75.74 -42.24 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -73.9 -21.76 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . 0.799 ' CE2' ' CE3' ' A' ' 12' ' ' TRP . 1.7 t80 -84.08 -51.22 7.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.556 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.23 -40.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -81.08 -37.35 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.2 tt0 -63.0 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -50.13 -54.13 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -49.73 -38.48 33.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' LYS . 27.2 t-20 -73.8 -47.6 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' ASN . 37.6 mtpt -34.18 -45.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.9 p -151.81 147.9 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 104.83 16.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 t -106.09 138.28 42.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.78 158.78 29.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp -128.37 26.9 5.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.61 39.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -162.09 159.4 26.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -106.25 101.0 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.0 t -145.68 142.63 18.23 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.572 0.701 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.99 29.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -76.57 104.12 6.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 tm0? -124.53 95.18 4.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -105.48 -52.94 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.2 p -48.26 103.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -125.43 151.5 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.2 mt -40.98 -53.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.68 -42.95 46.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.67 -43.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -59.45 -42.87 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 8.9 pt-20 -67.24 -39.67 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 63.5 mt -66.71 -48.58 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.08 -48.62 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.24 -57.31 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.4 -59.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.54 92.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 12.1 tp -53.01 -44.1 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.38 -45.38 22.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.1 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.88 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 67.1 m-85 -72.7 -29.61 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 105.02 -144.95 15.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -86.5 31.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -90.29 114.59 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.94 -43.38 18.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.3 p -50.66 -41.15 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 51.3 mttm -72.7 -59.34 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.8 mt -46.34 -62.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -38.64 -44.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -64.94 -51.85 59.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 tp -44.66 -59.86 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.08 -44.93 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.66 -44.18 2.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -62.31 -51.01 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.53 177.15 9.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 67.9 p -130.91 153.62 48.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.7 t -34.25 -44.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.55 -70.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -40.3 -46.62 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.05 -51.57 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -45.56 -55.35 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -62.31 -62.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 28.7 t80 -39.22 -45.67 1.39 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.83 -48.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.7 ptp85 -80.54 -27.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.0 tt0 -66.23 -36.66 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -60.63 -59.13 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.476 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 12.5 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ILE . 47.2 p -130.53 140.8 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.761 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.3 mp -36.52 -55.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -42.67 -55.07 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 41' ' ' ARG . 50.2 mt-10 -64.7 -53.56 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -40.34 -39.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.6 -56.74 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.46 -54.88 10.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 5.3 t80 -39.62 -59.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' GLN . 8.2 mt-10 -47.55 -58.14 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -37.37 -61.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.49 92.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.9 tp -59.44 -40.0 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.63 21.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -70.4 -61.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -76.01 -27.21 57.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 102.58 -142.87 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HD2' ' CH2' ' A' ' 31' ' ' TRP . 7.3 mmm-85 -85.03 32.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' HD12 ' A' ' 34' ' ' ILE . 18.5 mmm180 -90.34 117.3 28.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.443 ' CH2' ' HD2' ' A' ' 29' ' ' ARG . 11.6 m95 -83.72 -41.28 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.636 ' HA ' HG22 ' A' ' 43' ' ' VAL . 22.5 m -58.49 -42.17 86.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -68.81 -56.66 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 24' ' ' LEU . 68.5 mt -51.81 -56.35 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.4 p -38.27 -43.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -64.8 -49.48 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 tp -45.83 -43.03 13.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.42 -43.11 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.24 -47.55 2.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -57.35 -47.23 82.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.475 ' CZ ' ' OE1' ' A' ' 16' ' ' GLU . 4.9 mmt-85 -85.39 179.09 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.3 p -131.81 153.18 50.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 32' ' ' THR . 93.2 t -38.31 -42.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -65.09 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.04 -47.16 22.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 79.9 t -61.98 -56.37 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' VAL . 7.4 mtpm? -34.5 -60.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t -60.91 -53.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 1.7 t80 -42.85 -53.76 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.26 -34.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -83.1 -37.56 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.4 tt0 -61.22 -42.2 98.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -52.57 -61.63 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 p -96.97 158.76 15.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.8 mp -55.51 -51.02 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -53.96 -19.39 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' OE1' HG21 ' A' ' 38' ' ' ILE . 28.2 mm-40 -94.05 -47.63 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -56.28 -29.56 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.45 -37.78 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 mt -70.88 -39.85 72.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -55.91 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.05 -51.43 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -40.68 -56.02 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 -32.61 68.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.41 -38.15 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.56 -40.53 25.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.48 -64.37 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 20.4 m-85 -71.65 -28.52 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.77 -129.82 10.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -96.84 19.36 12.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -78.92 107.6 11.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.427 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.0 m95 -72.5 -31.44 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.0 p -67.34 -51.32 53.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 8.5 mptt -56.46 -47.24 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 30' ' ' ARG . 19.8 mt -63.76 -60.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -67.45 -46.06 74.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.26 -43.01 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.437 HG21 ' OE1' ' A' ' 16' ' ' GLU . 51.0 mt -76.73 -48.4 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.56 -40.43 2.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -63.19 -50.63 69.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -87.03 173.59 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.6 p -124.0 151.95 43.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' THR . 95.4 t -35.68 -44.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 mt -62.89 -63.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -45.66 -44.96 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 -52.32 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 47.2 mttt -43.36 -47.18 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.5 t -71.2 -60.78 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.2 t80 -40.75 -50.46 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -35.5 -41.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -76.47 -41.73 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.6 tt0 -59.1 -45.3 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -50.96 -57.65 8.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.45 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.2 m0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -103.85 145.55 29.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.2 mp -46.89 -43.98 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.04 -39.56 63.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.6 mt-10 -77.97 -55.16 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLU . 50.1 mttt -37.9 -44.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.42 -52.14 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.35 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 8.1 t80 -39.55 -57.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.37 -48.48 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -44.88 -54.32 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.84 -28.62 68.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.611 ' HA ' HD11 ' A' ' 34' ' ' ILE . 6.3 tp -65.42 -31.56 72.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.02 -36.2 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -73.07 -63.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -77.02 -26.49 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 -139.07 14.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 mmt-85 -90.04 31.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -92.07 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -79.95 -40.85 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.549 ' HA ' HG22 ' A' ' 43' ' ' VAL . 76.0 p -57.18 -34.75 68.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -77.57 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 24' ' ' LEU . 77.9 mt -48.13 -54.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 t -38.92 -51.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -56.85 -45.13 82.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.62 -58.61 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.61 -50.56 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.16 -45.67 3.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -61.88 -45.58 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -92.32 174.27 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 p -123.55 160.0 27.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 32' ' ' THR . 50.4 t -39.53 -44.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.06 -70.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.86 -50.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' LYS . 69.6 t -58.24 -56.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 23.1 mttm -37.0 -59.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' TYR . 49.0 m -59.57 -67.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 t80 -34.81 -45.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -38.1 -51.55 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -75.81 -25.94 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 tm0? -68.79 -36.83 78.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' PHE . 22.3 t80 -63.8 -66.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' TYR . 53.8 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.408 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 9.3 m95 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.838 0.351 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.4 p -107.66 137.21 46.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' THR . 38.6 mm -34.38 -48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.13 -51.99 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -62.16 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -38.68 -45.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.6 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.66 -48.51 80.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CE2' HD22 ' A' ' 24' ' ' LEU . 7.5 t80 -47.11 -51.06 18.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLN . 10.0 mt-10 -56.82 -56.98 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLU . 3.0 tt0 -36.77 -61.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -36.5 91.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD22 ' CE2' ' A' ' 20' ' ' PHE . 13.7 tp -54.28 -39.18 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.78 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.07 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -67.53 -64.01 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -75.23 -29.51 60.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 106.12 -139.67 14.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -86.7 29.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -87.62 116.98 26.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.447 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 8.0 m95 -81.1 -41.81 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -57.06 -45.23 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -64.75 -52.31 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.463 HD12 ' O ' ' A' ' 30' ' ' ARG . 47.6 mt -57.39 -58.2 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 p -41.96 -45.59 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -62.67 -53.25 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.9 -52.69 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.83 -47.31 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.74 -45.75 3.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -62.16 -52.77 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 49.1 mmt-85 -77.71 172.75 12.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -125.92 149.88 48.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' THR . 94.8 t -36.16 -45.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.52 -62.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -47.74 -42.82 26.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.74 -53.72 38.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 37.1 mtmt -41.51 -60.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -58.64 -58.59 7.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.2 t80 -41.03 -50.0 3.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -39.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -76.81 -41.06 45.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tt0 -55.55 -45.55 77.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -57.72 -47.77 81.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' ILE . 68.9 p -115.07 138.04 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.1 mp -33.98 -59.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' ILE . 10.3 tp10 -35.94 -47.85 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -54.83 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.23 -40.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.46 -59.18 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.95 -43.55 66.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -52.71 -44.76 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.8 -53.32 27.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -38.84 -55.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.3 -26.81 67.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HA ' HD11 ' A' ' 34' ' ' ILE . 12.1 tp -63.62 -35.29 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.46 -34.33 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -76.31 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 47.6 m-85 -79.07 -28.13 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.7 -137.05 13.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -93.12 23.12 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -79.56 115.12 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.99 -36.35 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -58.66 -38.14 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 34.7 mttt -75.82 -62.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 24' ' ' LEU . 75.1 mt -44.85 -47.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -42.19 -54.96 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -56.48 -55.7 30.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -39.84 -57.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -49.04 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.33 -46.05 3.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.6 t -60.16 -55.49 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -75.66 177.87 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -133.89 149.53 51.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' THR . 85.7 t -34.56 -43.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.97 -61.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -50.76 -45.16 58.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.77 -50.57 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -47.26 -58.45 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.4 m -60.26 -59.09 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.0 t80 -41.83 -53.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.583 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -34.02 -36.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.4 mtt180 -80.87 -44.75 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -54.09 -39.4 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -60.8 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 52.8 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 9.9 m0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 p -118.78 153.86 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -41.48 -59.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ILE . 24.3 tt0 -37.27 -64.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.7 -54.65 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -44.49 -40.01 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.98 -49.09 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.97 -53.4 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.629 ' HE1' HD22 ' A' ' 24' ' ' LEU . 15.1 t80 -42.3 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 2.2 mp0 -55.87 -59.9 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 40.2 mt-30 -36.48 -62.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.11 73.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD22 ' HE1' ' A' ' 20' ' ' PHE . 11.2 tp -62.06 -38.05 87.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.45 -39.12 20.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -69.78 -63.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -77.5 -29.27 52.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 -142.81 15.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -86.7 29.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -85.02 110.55 19.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -80.09 -39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.401 ' HA ' HG22 ' A' ' 43' ' ' VAL . 64.0 p -55.38 -38.68 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -75.36 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -46.68 -58.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.5 p -40.64 -45.18 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -64.4 -46.71 82.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.77 -49.72 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.15 -42.51 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.86 -62.3 3.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.8 t -56.05 -36.94 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -87.29 178.59 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -141.28 153.92 45.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.1 t -35.01 -44.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.75 -66.49 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -44.17 -49.04 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.22 -54.11 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -39.69 -59.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 49' ' ' TYR . 12.0 t -61.36 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.3 t80 -34.51 -48.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.53 -54.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -72.53 -27.53 62.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.8 tt0 -68.34 -35.34 77.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.15 -43.56 95.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 11.1 m95 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.826 0.346 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.9 p -95.99 152.87 18.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.26 -48.5 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -49.23 -53.89 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG2' HG21 ' A' ' 38' ' ' ILE . 23.6 mt-10 -63.98 -51.06 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.38 -48.33 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.15 -58.24 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 mt -49.25 -53.23 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -39.81 -51.92 2.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' LEU . 2.6 mm-40 -63.44 -60.04 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' GLU . 37.6 mt-30 -35.22 -48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.5 -30.62 44.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.1 tp -65.2 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -52.45 15.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -55.36 12.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -71.64 -30.01 65.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 95.33 -106.59 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -117.56 29.64 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' HD12 ' A' ' 34' ' ' ILE . 97.6 mtt180 -91.22 112.18 23.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.2 m95 -79.45 -43.65 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.9 p -51.87 -42.15 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -71.45 -60.65 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 30' ' ' ARG . 43.1 mt -48.02 -56.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -41.03 -43.68 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -62.77 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.03 -58.45 5.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.419 HG21 ' HG2' ' A' ' 16' ' ' GLU . 77.1 mt -65.71 -48.16 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.81 -43.79 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -60.43 -45.41 93.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -90.91 147.58 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -95.71 151.37 19.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.9 t -38.26 -42.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.38 -62.02 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.39 -43.18 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.2 -46.44 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 43.0 mttt -44.56 -45.46 9.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' TYR . 48.0 m -72.89 -67.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.3 t80 -36.42 -46.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -37.58 -48.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.9 ptp180 -79.48 -29.65 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 2.8 tt0 -65.13 -36.29 83.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' PHE . 24.3 t80 -62.15 -64.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' TYR . 61.4 m-85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.453 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.3 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -92.19 149.89 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mm -42.42 -47.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -50.29 -51.63 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.09 -57.17 14.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -44.46 -42.53 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -63.68 -50.47 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.18 -55.82 29.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.74 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 4.6 t80 -45.48 -49.71 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.16 -52.89 63.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -38.56 -50.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.38 -46.62 14.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.74 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.9 tp -43.47 -32.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.91 -36.55 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -78.69 -64.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 24.6 m-85 -72.39 -29.08 63.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.56 -121.68 7.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -92.84 -22.02 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 30' ' ' ARG . 6.9 mmp_? -45.53 110.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.432 ' O ' ' C ' ' A' ' 32' ' ' THR . 21.2 m95 -76.65 -58.09 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 31' ' ' TRP . 37.4 p -35.3 -54.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 97.9 mttt -57.75 -55.3 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' SER . 64.2 mt -52.91 -59.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' ILE . 15.0 t -35.12 -49.96 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -55.76 -54.3 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.9 tp -42.59 -50.83 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.31 -55.84 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.44 3.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.2 m -66.45 -41.87 88.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -84.47 -175.39 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.8 p -137.55 150.86 47.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -38.7 -38.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.5 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -49.11 -40.39 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' LYS . 65.0 t -68.24 -57.41 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 53.9 mttm -37.8 -61.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 m -57.74 -64.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 52' ' ' GLN . 37.0 t80 -37.29 -46.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.05 -48.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -76.23 -32.28 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tm0? -61.7 -45.5 93.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -52.12 -55.95 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.0 m0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.851 0.357 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.22 142.1 46.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.3 mt -49.95 -31.67 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 2.6 pt-20 -65.38 -35.69 81.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 74.4 mt-10 -85.22 -54.77 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -44.73 -44.09 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -58.44 -36.01 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -74.66 -36.9 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 7.8 t80 -60.14 -46.81 88.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.54 -43.33 85.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -46.67 -56.28 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.14 -41.49 53.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 8.7 tp -45.56 -32.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.75 -34.8 39.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 27' ' ' PHE . 11.6 tmtt? -81.13 -63.29 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.404 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 42.1 m-85 -72.19 -27.84 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.73 -103.99 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.506 ' O ' ' CE3' ' A' ' 31' ' ' TRP . 52.6 mtt-85 -115.14 -17.63 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -45.32 110.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 29' ' ' ARG . 11.6 m95 -76.97 -50.94 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.8 p -45.1 -38.41 5.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.08 -47.71 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 59.4 mt -60.84 -60.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' ILE . 18.2 p -37.35 -37.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -63.94 -45.39 89.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' ILE . 14.7 tp -52.31 -50.86 61.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 40' ' ' SER . 71.4 mt -66.77 -55.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.15 -37.26 2.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 38' ' ' ILE . 3.9 t -66.04 -44.49 84.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.88 -178.3 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' VAL . 62.7 p -129.3 152.54 48.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 47' ' ' LYS . 70.3 t -36.1 -43.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.28 -59.99 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -53.47 -41.34 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.26 -29.21 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 43' ' ' VAL . 74.3 mttt -77.11 -37.39 54.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.4 p -80.38 -17.64 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.0 t80 -84.66 -46.67 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -39.85 -39.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -36.67 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.7 tt0 -60.58 -43.8 96.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -55.9 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 58.1 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.432 ' CH2' ' HG3' ' A' ' 41' ' ' ARG . 7.9 m0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 153.66 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.2 mt -46.3 -50.34 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -50.75 -36.23 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -81.28 -34.89 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -71.44 -28.22 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -84.28 -43.29 14.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.09 -50.02 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.1 t80 -42.46 -51.94 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.65 -53.46 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -38.21 -57.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.21 -31.24 59.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 20' ' ' PHE . 9.5 tp -58.37 -24.59 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.78 -29.35 16.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -80.77 -59.67 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 57.8 m-85 -82.18 -21.95 36.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.92 -125.17 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 46.8 mtt180 -97.86 2.68 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -58.92 105.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.487 ' CD2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m95 -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.8 p -50.96 -39.28 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 49.4 mttt -76.54 -60.92 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -42.14 -51.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -50.88 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -58.83 -37.29 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.92 -59.92 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.428 HG21 ' HG3' ' A' ' 16' ' ' GLU . 59.2 mt -60.41 -47.7 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.37 -39.05 2.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 38' ' ' ILE . 40.4 t -65.28 -46.65 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.432 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 29.8 mmt180 -90.7 160.97 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' VAL . 63.4 p -116.2 152.23 34.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' THR . 96.9 t -34.02 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -68.66 -67.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -44.97 -35.5 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.92 -59.34 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -38.26 -41.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -71.47 -56.72 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.3 t80 -48.12 -42.33 28.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 52' ' ' GLN . 3.7 ptt85 -77.39 -35.68 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.2 tt0 -65.22 -27.53 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -67.59 -58.2 5.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 5.9 m95 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.9 p -80.64 159.67 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.6 mp -52.81 -53.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.54 -58.36 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.521 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 54.9 mm-40 -46.7 -51.16 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -51.67 -42.45 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -73.16 -61.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -47.58 -56.31 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.4 t80 -41.81 -47.05 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.8 mt-10 -66.53 -55.82 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' GLU . 6.6 tt0 -37.81 -57.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.51 -34.99 67.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 34' ' ' ILE . 12.7 tp -52.21 -22.09 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.74 -66.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 27' ' ' PHE . 2.5 ptpp? -53.37 -28.32 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CE2' ' HD2' ' A' ' 26' ' ' LYS . 60.2 m-85 -104.26 -29.98 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 94.84 -141.24 15.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -88.1 30.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -91.81 108.21 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.503 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.3 m95 -71.07 -43.4 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.5 ' HA ' HG22 ' A' ' 43' ' ' VAL . 74.3 p -57.66 -39.77 77.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -68.47 -48.64 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.571 HD11 HD12 ' A' ' 24' ' ' LEU . 47.6 mt -60.96 -58.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ILE . 90.8 p -34.8 -42.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -64.46 -54.08 38.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -40.86 -56.73 2.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.488 HG21 ' OE1' ' A' ' 16' ' ' GLU . 31.3 mt -66.91 -46.19 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.43 -43.3 2.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -61.74 -48.19 81.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' CG ' ' OE1' ' A' ' 16' ' ' GLU . 2.9 mmp_? -83.08 -177.74 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' VAL . 71.6 p -136.87 152.54 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 32' ' ' THR . 95.3 t -33.99 -48.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.28 -71.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -39.53 -44.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 47' ' ' LYS . 93.2 t -63.05 -62.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' VAL . 48.2 mtpt -34.38 -45.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -51.0 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.8 t80 -60.58 -41.45 94.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -42.32 -43.06 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 3.2 ptt180 -86.02 -31.72 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 3.0 tt0 -64.37 -30.74 71.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.4 -52.63 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CZ2' ' HG2' ' A' ' 41' ' ' ARG . 6.9 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 p -133.75 151.01 51.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.4 mp -43.72 -49.34 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -40.32 -44.79 2.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -80.74 -58.92 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' GLU . 38.3 mtpt -35.67 -41.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.63 -60.29 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' PHE . 75.2 mt -54.94 -60.23 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' LEU . 8.2 t80 -36.31 -57.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -56.95 -57.77 11.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -39.89 -57.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.48 91.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.439 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.87 -38.21 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.67 -39.27 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -71.28 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 39.9 m-85 -74.69 -27.49 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.95 -142.24 15.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -89.48 30.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -89.31 117.25 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -82.3 -35.64 27.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -37.93 87.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 15.6 mmmt -76.05 -49.11 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.454 HG22 HD11 ' A' ' 38' ' ' ILE . 70.9 mt -58.25 -53.36 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 43' ' ' VAL . 25.0 t -41.33 -52.01 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -57.16 -46.11 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -59.9 -43.1 95.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.454 HD11 HG22 ' A' ' 34' ' ' ILE . 44.1 mt -67.2 -38.04 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.25 -65.05 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -59.42 -58.49 8.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.653 HH21 ' NE2' ' A' ' 45' ' ' GLN . 2.0 tpm_? -71.28 138.42 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -98.32 152.19 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' THR . 98.7 t -33.81 -43.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.05 -62.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.653 ' NE2' HH21 ' A' ' 41' ' ' ARG . 19.8 mt-30 -49.01 -41.69 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.63 -51.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -43.26 -52.7 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.32 -64.01 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 52' ' ' GLN . 42.6 t80 -38.49 -45.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -53.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -74.27 -26.31 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' TYR . 14.0 tm0? -68.48 -33.09 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -63.77 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.832 0.348 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -114.94 149.09 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mm -39.91 -49.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -49.67 -55.14 14.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -52.29 -47.76 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -57.27 -46.43 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.7 mt -58.25 -46.45 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.525 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 45.8 t80 -52.67 -44.33 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -64.14 -57.58 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 5.5 tt0 -35.37 -56.77 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.41 55.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 10.5 tp -43.2 -39.68 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.74 -39.97 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.71 -63.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -71.0 -29.94 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 100.81 -102.58 2.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -119.49 31.7 6.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' HD12 ' A' ' 34' ' ' ILE . 56.0 mtt-85 -93.52 116.97 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -82.2 -40.45 21.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.644 ' HA ' HG22 ' A' ' 43' ' ' VAL . 63.5 m -55.53 -41.42 73.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 33.4 mmtt -70.73 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 30' ' ' ARG . 46.1 mt -40.75 -44.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.9 m -55.94 -38.35 70.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.24 -41.56 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.75 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 40' ' ' SER . 74.2 mt -61.86 -55.3 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -39.46 3.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.411 ' H ' HG22 ' A' ' 38' ' ' ILE . 72.6 m -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.3 mmp_? -92.13 173.09 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 p -121.92 159.39 26.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 32' ' ' THR . 42.3 t -41.87 -37.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -64.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.426 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 40.4 mm-40 -47.84 -45.52 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.26 -44.23 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 31.7 mtpt -55.38 -54.25 46.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -63.98 -52.51 59.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 t80 -47.48 -49.67 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.2 -36.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -80.71 -40.79 24.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.9 tt0 -60.42 -39.99 89.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -52.72 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.5 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.828 0.347 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -118.33 150.07 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -42.72 -58.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -43.82 -40.03 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -75.07 -44.4 47.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -58.09 -39.54 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 5.9 pt-20 -69.26 -35.45 76.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 25.6 mt -72.51 -46.59 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.8 t80 -51.46 -48.99 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.5 -54.42 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.51 -56.43 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.41 -27.78 69.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 20' ' ' PHE . 11.7 tp -64.12 -34.94 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.22 -35.57 21.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.54 -61.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -77.13 -28.65 54.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.99 -133.39 11.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -96.64 27.26 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.09 110.19 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 6.5 m95 -80.3 -31.98 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.459 ' HA ' HG22 ' A' ' 43' ' ' VAL . 7.1 p -68.22 -25.06 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -86.02 -49.66 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.55 -43.38 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 t -52.34 -47.97 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -65.39 -43.06 91.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.71 -56.47 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.9 mt -67.5 -49.99 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.92 -41.1 2.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.7 t -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -99.04 172.09 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.6 p -121.41 156.6 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 32' ' ' THR . 78.9 t -38.93 -43.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.48 -65.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -44.37 -50.04 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.48 -52.15 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 24.0 mtpp -44.32 -52.88 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' TYR . 8.2 t -63.08 -68.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' GLN . 24.7 t80 -35.17 -47.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.64 -48.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.57 -32.95 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 tm0? -66.75 -28.56 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -75.95 -54.98 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.9 m0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.1 p -117.9 150.42 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.69 -55.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -44.69 -61.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -53.66 40.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -43.58 -40.27 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.11 -60.32 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.7 mt -48.84 -52.92 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 4.0 t80 -45.05 -50.38 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' LEU . 13.3 mt-10 -59.82 -55.67 31.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -38.1 -58.77 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.37 -18.44 75.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 10.6 tp -70.21 -17.37 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -54.29 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -64.48 -44.07 92.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -91.27 -25.2 19.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -132.72 11.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -92.17 21.12 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -76.81 113.61 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 9.6 m95 -79.79 -45.79 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.693 ' HA ' HG22 ' A' ' 43' ' ' VAL . 73.7 p -53.25 -45.69 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -63.97 -63.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 89.7 mt -43.08 -59.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ILE . 34.6 m -34.54 -53.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -47.44 -44.18 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' ILE . 7.9 tp -56.09 -70.55 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -49.58 -48.24 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.84 -42.64 2.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -63.96 -45.08 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -85.57 172.52 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' VAL . 66.7 p -130.16 152.93 49.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 32' ' ' THR . 89.1 t -34.0 -45.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.36 -66.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -45.18 -52.66 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.06 -43.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 58.5 mttt -56.3 -38.82 71.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.0 p -75.44 -50.21 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.2 t80 -56.34 -51.25 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -34.0 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 mtp-105 -85.9 -49.12 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -50.22 -39.83 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -57.56 -60.98 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 55.0 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.9 m95 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -109.86 153.75 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -43.96 -54.89 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -43.88 -61.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -52.43 -60.27 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -39.9 -48.17 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.49 -48.26 69.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.99 -52.45 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 12.7 t80 -48.37 -49.03 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -40.61 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.1 -49.61 76.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.16 -28.59 61.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.6 tp -61.45 -33.26 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.37 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -73.42 -62.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -77.95 -28.86 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.68 -143.03 15.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -86.83 29.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -90.98 114.69 27.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.7 m95 -79.56 -41.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -57.22 -34.24 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -77.15 -53.38 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.82 -50.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t -42.47 -45.6 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.2 tp -50.12 -45.39 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.7 mt -76.44 -53.09 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.31 2.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -65.43 -41.56 93.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 1.8 mmp_? -97.3 169.97 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.6 p -116.85 156.2 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.476 ' CG1' ' HE2' ' A' ' 47' ' ' LYS . 76.0 t -38.11 -41.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.37 -69.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 41.9 mm-40 -40.8 -40.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' TYR . 99.5 t -67.5 -58.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HE2' ' CG1' ' A' ' 43' ' ' VAL . 34.2 mttm -42.47 -35.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -80.15 -29.42 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.3 t80 -76.62 -53.16 8.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.99 -44.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -80.73 -34.41 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm0? -60.65 -46.06 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -49.76 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.534 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 20.3 m95 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.796 0.331 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' ILE . 46.5 p -142.49 149.07 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' THR . 35.7 mt -35.6 -55.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -43.02 -55.25 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.04 -57.45 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -39.1 -40.82 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.06 -59.66 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.8 mt -49.92 -44.01 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -52.02 -46.78 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' GLN . 3.6 mm-40 -67.32 -54.66 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . 2.1 tt0 -36.89 -52.83 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.59 -31.32 60.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -56.59 -23.47 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.65 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HE2' ' CZ ' ' A' ' 27' ' ' PHE . 19.2 ptmt -58.58 -47.95 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 37.8 m-85 -82.94 -29.13 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.15 -135.28 12.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -90.44 12.6 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mmt-85 -71.32 115.42 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 13.8 m95 -82.78 -39.02 22.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.9 p -54.68 -41.01 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.46 -60.19 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -46.66 -51.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.413 ' HA ' HG21 ' A' ' 46' ' ' VAL . 14.0 t -46.64 -43.34 17.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -67.4 -46.03 74.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.24 -55.95 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.35 -42.67 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.4 -59.1 4.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -50.35 -42.98 53.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 8.3 mmt-85 -83.53 179.3 7.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.2 p -134.77 155.96 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -38.0 -44.57 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -64.42 -69.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -41.39 -47.0 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 35' ' ' SER . 87.0 t -62.51 -48.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 9.4 mtpm? -51.99 -39.77 59.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.3 t -71.18 -60.56 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 t80 -41.71 -44.17 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.14 -45.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -72.28 -33.53 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tt0 -65.2 -35.34 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.15 -60.54 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.6 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.895 0.379 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 p -95.4 145.53 25.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -44.24 -55.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.72 -56.2 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 38' ' ' ILE . 6.5 mm-40 -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -40.27 -44.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.9 -50.77 72.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -58.68 -44.43 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.735 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 34.5 t80 -52.76 -56.26 16.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' GLN . 11.6 mt-10 -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -35.59 -57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.05 -45.58 55.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 9.3 tp -45.93 -21.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 -37.83 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -79.99 -57.3 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -79.07 -23.55 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.6 -113.25 4.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -110.28 14.85 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.58 111.44 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 7.8 m95 -77.92 -40.2 40.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.8 p -59.16 -28.12 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.64 -57.73 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mt -52.38 -53.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -38.23 -52.41 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.18 -42.54 91.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -49.47 -41.87 41.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.424 HG23 ' OE1' ' A' ' 16' ' ' GLU . 79.4 mt -83.3 -54.42 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.59 -45.23 3.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -59.89 -37.95 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . 6.4 mmp_? -102.06 155.45 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -92.32 171.47 9.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.25 -36.24 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -58.64 -49.27 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -41.79 99.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.26 -25.2 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.533 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 80.9 mttt -78.72 -37.54 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 t -85.36 -18.87 32.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -80.89 -46.25 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -41.53 -41.18 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.4 -35.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.41 -45.33 91.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.77 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 49' ' ' TYR . 8.9 m0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.2 p -132.69 148.59 52.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.9 mp -37.97 -46.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -49.9 -58.0 6.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 24.0 mt-10 -62.17 -52.39 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -46.85 -40.89 14.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.18 -48.11 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.39 -59.87 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -39.88 -48.56 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.84 -56.61 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -38.14 -60.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.27 73.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.638 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 11.9 tp -55.29 -19.99 10.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.94 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 pttt -57.23 -27.92 62.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 26' ' ' LYS . 45.5 m-85 -105.52 -29.62 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 97.34 -141.34 15.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.04 28.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 115.03 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 8.5 m95 -78.6 -38.6 39.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.469 ' HA ' HG22 ' A' ' 43' ' ' VAL . 21.9 m -60.08 -39.33 85.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -69.6 -49.85 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 37' ' ' LEU . 58.7 mt -60.53 -52.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' ILE . 51.6 p -37.73 -45.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -65.14 -40.44 94.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 tp -54.77 -64.29 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.18 -42.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.01 -43.55 3.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -73.03 -43.08 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.682 ' HB3' HG23 ' A' ' 46' ' ' VAL . 4.5 mpt_? -74.73 -178.43 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' LEU . 71.4 p -148.89 151.88 35.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 32' ' ' THR . 85.2 t -33.39 -34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' THR . 41.8 mt -76.07 -60.92 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.59 -50.52 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.682 HG23 ' HB3' ' A' ' 41' ' ' ARG . 74.3 t -58.24 -27.22 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -75.74 -42.24 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -73.9 -21.76 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.799 ' CE2' ' CE3' ' A' ' 12' ' ' TRP . 1.7 t80 -84.08 -51.22 7.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.23 -40.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -81.08 -37.35 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.2 tt0 -63.0 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -131.24 154.47 48.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -145.88 129.16 16.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.27 134.03 6.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -102.4 109.92 21.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -80.34 46.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 -88.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -154.15 157.21 38.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.92 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 m -75.66 113.37 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 10' ' ' VAL . 5.8 p -108.49 118.39 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -131.84 157.31 44.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -106.52 171.24 7.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -125.43 151.5 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.2 mt -40.98 -53.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.68 -42.95 46.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.67 -43.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -59.45 -42.87 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 8.9 pt-20 -67.24 -39.67 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 63.5 mt -66.71 -48.58 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.08 -48.62 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.24 -57.31 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.4 -59.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.54 92.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 12.1 tp -53.01 -44.1 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.38 -45.38 22.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.1 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.88 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 67.1 m-85 -72.7 -29.61 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 105.02 -144.95 15.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -86.5 31.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -90.29 114.59 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.94 -43.38 18.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.3 p -50.66 -41.15 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 51.3 mttm -72.7 -59.34 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.8 mt -46.34 -62.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -38.64 -44.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -64.94 -51.85 59.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 tp -44.66 -59.86 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.08 -44.93 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.66 -44.18 2.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -62.31 -51.01 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.53 177.15 9.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 67.9 p -130.91 153.62 48.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.7 t -34.25 -44.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.55 -70.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -40.3 -46.62 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.05 -51.57 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -45.56 -55.35 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -62.31 -62.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 28.7 t80 -39.22 -45.67 1.39 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.83 -48.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.7 ptp85 -80.54 -27.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.0 tt0 -66.23 -36.66 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' A' ' 57' ' ' LYS . 22.8 t80 -60.63 -59.13 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -53.37 -51.44 62.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -39.18 -41.69 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' LYS . 22.2 t-20 -76.3 -49.38 17.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' ASN . 22.4 mtpp -34.91 -50.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.6 p -105.95 123.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -41.4 148.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.4 p -38.71 129.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.67 -89.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.8 mp -48.86 -41.29 32.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -53.83 -42.01 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm 59.89 41.77 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -121.58 129.93 53.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.7 146.07 35.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 111.186 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.88 3.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.92 167.86 14.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -166.56 178.25 6.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -60.29 113.9 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.6 p -75.72 150.47 37.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -65.19 145.39 56.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p -61.84 161.29 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.19 -120.61 0.96 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -89.3 -57.22 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -58.52 114.45 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.51 -168.44 41.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -132.59 103.97 6.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -163.92 128.17 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -116.69 116.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.66 132.91 19.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.476 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 12.5 m95 -105.93 173.6 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ILE . 47.2 p -130.53 140.8 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.761 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.3 mp -36.52 -55.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -42.67 -55.07 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 41' ' ' ARG . 50.2 mt-10 -64.7 -53.56 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -40.34 -39.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.6 -56.74 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.46 -54.88 10.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 5.3 t80 -39.62 -59.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' GLN . 8.2 mt-10 -47.55 -58.14 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -37.37 -61.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.49 92.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.9 tp -59.44 -40.0 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.63 21.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -70.4 -61.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -76.01 -27.21 57.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 102.58 -142.87 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HD2' ' CH2' ' A' ' 31' ' ' TRP . 7.3 mmm-85 -85.03 32.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' HD12 ' A' ' 34' ' ' ILE . 18.5 mmm180 -90.34 117.3 28.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.443 ' CH2' ' HD2' ' A' ' 29' ' ' ARG . 11.6 m95 -83.72 -41.28 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.636 ' HA ' HG22 ' A' ' 43' ' ' VAL . 22.5 m -58.49 -42.17 86.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -68.81 -56.66 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 24' ' ' LEU . 68.5 mt -51.81 -56.35 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.4 p -38.27 -43.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -64.8 -49.48 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 tp -45.83 -43.03 13.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.42 -43.11 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.24 -47.55 2.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -57.35 -47.23 82.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' CZ ' ' OE1' ' A' ' 16' ' ' GLU . 4.9 mmt-85 -85.39 179.09 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.3 p -131.81 153.18 50.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 32' ' ' THR . 93.2 t -38.31 -42.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -65.09 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.04 -47.16 22.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 79.9 t -61.98 -56.37 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' VAL . 7.4 mtpm? -34.5 -60.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t -60.91 -53.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 1.7 t80 -42.85 -53.76 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.26 -34.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -83.1 -37.56 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.4 tt0 -61.22 -42.2 98.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' A' ' 57' ' ' LYS . 23.7 t80 -52.57 -61.63 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -46.24 -41.41 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -64.04 -31.12 72.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -84.29 -24.82 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 53' ' ' TYR . 19.9 mmmt -46.49 173.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' VAL . 13.3 p 39.77 27.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -41.21 162.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.7 m 49.07 44.85 23.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.62 -95.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.7 mt -83.1 42.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 t70 56.78 40.72 28.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -85.22 -58.71 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -91.67 175.9 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 t -128.08 144.19 50.7 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.591 0.71 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' ASN . 53.4 Cg_endo -69.8 -21.1 33.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.268 . . . . 0.0 112.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.505 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.9 OUTLIER 36.11 40.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 5.5 tp60 -116.8 156.26 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 2.6 tppp? -160.55 134.98 7.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.5 m -54.73 99.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -157.26 173.43 16.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 t -106.26 94.26 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.61 115.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -153.08 127.6 9.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.5 p -102.16 131.0 48.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.43 125.32 0.82 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -67.3 93.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.939 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 t -79.4 92.49 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.4 110.68 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -102.91 139.64 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -87.85 142.02 28.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 p -96.97 158.76 15.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.8 mp -55.51 -51.02 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -53.96 -19.39 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' OE1' HG21 ' A' ' 38' ' ' ILE . 28.2 mm-40 -94.05 -47.63 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -56.28 -29.56 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.45 -37.78 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 mt -70.88 -39.85 72.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -55.91 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.05 -51.43 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -40.68 -56.02 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 -32.61 68.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.41 -38.15 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.56 -40.53 25.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.48 -64.37 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 20.4 m-85 -71.65 -28.52 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.77 -129.82 10.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -96.84 19.36 12.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -78.92 107.6 11.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.427 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.0 m95 -72.5 -31.44 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.0 p -67.34 -51.32 53.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 8.5 mptt -56.46 -47.24 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 30' ' ' ARG . 19.8 mt -63.76 -60.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -67.45 -46.06 74.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.26 -43.01 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.437 HG21 ' OE1' ' A' ' 16' ' ' GLU . 51.0 mt -76.73 -48.4 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.56 -40.43 2.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -63.19 -50.63 69.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -87.03 173.59 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.6 p -124.0 151.95 43.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' THR . 95.4 t -35.68 -44.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 mt -62.89 -63.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -45.66 -44.96 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 -52.32 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 47.2 mttt -43.36 -47.18 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.5 t -71.2 -60.78 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.2 t80 -40.75 -50.46 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -35.5 -41.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -76.47 -41.73 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.6 tt0 -59.1 -45.3 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -50.96 -57.65 8.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -68.47 -32.04 71.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -45.81 -45.72 15.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 10.0 t-20 -69.58 -48.96 58.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 6.8 mptt -37.8 -64.51 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -125.75 99.36 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -53.42 168.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.6 t -91.91 97.93 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.489 ' C ' HD22 ' A' ' 62' ' ' LEU . . . -151.28 -87.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD22 ' C ' ' A' ' 61' ' ' GLY . 3.2 mm? -109.78 90.57 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -124.36 147.18 48.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -104.65 82.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -175.02 134.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.57 147.43 33.15 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.547 0.689 . . . . 0.0 111.156 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -22.82 31.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -118.38 -175.08 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 pm0 -101.76 -17.53 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 161.06 21.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.3 t -69.14 148.12 50.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -53.22 95.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -86.23 111.12 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.14 60.2 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 m -89.48 42.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.798 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -65.14 113.19 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.49 132.91 1.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -87.95 162.7 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -163.06 134.72 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 10' ' ' VAL . 40.4 t -93.72 49.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -122.92 148.91 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.45 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.2 m0 -119.11 155.53 31.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -103.85 145.55 29.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.2 mp -46.89 -43.98 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.04 -39.56 63.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.6 mt-10 -77.97 -55.16 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLU . 50.1 mttt -37.9 -44.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.42 -52.14 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.35 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 8.1 t80 -39.55 -57.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.37 -48.48 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -44.88 -54.32 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.84 -28.62 68.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.611 ' HA ' HD11 ' A' ' 34' ' ' ILE . 6.3 tp -65.42 -31.56 72.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.02 -36.2 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -73.07 -63.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -77.02 -26.49 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 -139.07 14.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 mmt-85 -90.04 31.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -92.07 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -79.95 -40.85 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.549 ' HA ' HG22 ' A' ' 43' ' ' VAL . 76.0 p -57.18 -34.75 68.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -77.57 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 24' ' ' LEU . 77.9 mt -48.13 -54.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 t -38.92 -51.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -56.85 -45.13 82.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.62 -58.61 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.61 -50.56 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.16 -45.67 3.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -61.88 -45.58 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -92.32 174.27 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 p -123.55 160.0 27.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 32' ' ' THR . 50.4 t -39.53 -44.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.06 -70.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -38.86 -50.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' LYS . 69.6 t -58.24 -56.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 23.1 mttm -37.0 -59.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' TYR . 49.0 m -59.57 -67.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 t80 -34.81 -45.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -38.1 -51.55 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -75.81 -25.94 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 tm0? -68.79 -36.83 78.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' LYS . 22.3 t80 -63.8 -66.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.445 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 53.8 m-85 -36.58 -29.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' TYR . 12.5 ttpt -78.59 -49.62 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' TYR . 4.0 m-20 -66.35 -18.58 65.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 58' ' ' VAL . 40.5 mtpt -51.63 -175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' LYS . 1.3 p -33.97 109.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' VAL . 7.3 ptmm? -34.91 138.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -87.58 178.95 6.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.99 -42.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.0 mt -124.94 95.96 4.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -75.68 -44.11 43.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -146.18 150.73 36.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.25 154.49 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.5 p -138.26 144.35 42.76 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.612 0.72 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.76 2.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.704 2.27 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -64.03 170.74 3.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -80.02 78.22 6.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -52.36 152.96 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 71' ' ' THR . 5.7 m 69.81 41.52 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 58.88 53.53 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -126.94 135.64 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.53 -111.17 0.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -58.99 -45.32 90.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -101.29 42.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.88 109.39 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -98.14 148.0 24.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.886 0.374 . . . . 0.0 110.941 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -96.97 118.58 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.15 119.41 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 131.29 10.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.408 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 9.3 m95 -82.61 153.92 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.4 p -107.66 137.21 46.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' THR . 38.6 mm -34.38 -48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.13 -51.99 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -62.16 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -38.68 -45.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.6 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.66 -48.51 80.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CE2' HD22 ' A' ' 24' ' ' LEU . 7.5 t80 -47.11 -51.06 18.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLN . 10.0 mt-10 -56.82 -56.98 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLU . 3.0 tt0 -36.77 -61.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -36.5 91.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.482 HD22 ' CE2' ' A' ' 20' ' ' PHE . 13.7 tp -54.28 -39.18 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.78 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.07 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -67.53 -64.01 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -75.23 -29.51 60.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 106.12 -139.67 14.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -86.7 29.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -87.62 116.98 26.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.447 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 8.0 m95 -81.1 -41.81 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -57.06 -45.23 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -64.75 -52.31 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.463 HD12 ' O ' ' A' ' 30' ' ' ARG . 47.6 mt -57.39 -58.2 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 p -41.96 -45.59 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -62.67 -53.25 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.9 -52.69 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.83 -47.31 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.74 -45.75 3.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -62.16 -52.77 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 49.1 mmt-85 -77.71 172.75 12.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -125.92 149.88 48.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' THR . 94.8 t -36.16 -45.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.52 -62.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -47.74 -42.82 26.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.74 -53.72 38.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 37.1 mtmt -41.51 -60.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -58.64 -58.59 7.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.2 t80 -41.03 -50.0 3.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -39.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -76.81 -41.06 45.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tt0 -55.55 -45.55 77.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -57.72 -47.77 81.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -64.91 -51.23 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -52.4 -36.21 53.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' LYS . 10.9 m-20 -68.52 -50.58 51.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' ASN . 34.1 mttm -34.26 -50.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.9 p -108.55 127.18 65.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.16 148.77 23.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.7 m -89.89 -49.63 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.91 -41.15 1.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -72.13 -31.77 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 2.4 t0 -88.69 96.59 10.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 166.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -139.04 136.21 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 t -142.07 144.3 31.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.523 0.678 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 103.15 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -52.86 156.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -142.63 155.88 45.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -60.11 109.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.6 m -102.05 125.98 48.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -77.83 95.86 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -124.77 129.22 50.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.45 -66.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -161.14 151.36 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.376 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -46.84 119.07 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.15 -120.48 2.73 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -149.08 162.96 38.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.904 0.383 . . . . 0.0 110.909 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 t -147.68 116.29 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -93.54 54.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -107.41 133.38 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.12 163.03 16.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' ILE . 68.9 p -115.07 138.04 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.1 mp -33.98 -59.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' ILE . 10.3 tp10 -35.94 -47.85 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -54.83 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.23 -40.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.46 -59.18 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.95 -43.55 66.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -52.71 -44.76 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.8 -53.32 27.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -38.84 -55.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.3 -26.81 67.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HA ' HD11 ' A' ' 34' ' ' ILE . 12.1 tp -63.62 -35.29 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.46 -34.33 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -76.31 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 47.6 m-85 -79.07 -28.13 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.7 -137.05 13.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -93.12 23.12 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -79.56 115.12 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.99 -36.35 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -58.66 -38.14 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 34.7 mttt -75.82 -62.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 24' ' ' LEU . 75.1 mt -44.85 -47.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -42.19 -54.96 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -56.48 -55.7 30.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -39.84 -57.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -49.04 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.33 -46.05 3.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.6 t -60.16 -55.49 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -75.66 177.87 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -133.89 149.53 51.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' THR . 85.7 t -34.56 -43.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.97 -61.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -50.76 -45.16 58.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.77 -50.57 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -47.26 -58.45 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.4 m -60.26 -59.09 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.0 t80 -41.83 -53.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.583 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -34.02 -36.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.4 mtt180 -80.87 -44.75 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -54.09 -39.4 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -60.8 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 52.8 m-85 -42.83 -44.32 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -71.33 -40.71 70.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -68.61 -23.81 64.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.0 mtmp? -50.43 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 58' ' ' VAL . 14.0 p 37.4 28.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -50.04 173.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.2 m -64.09 90.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.26 -53.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mt 56.68 43.62 25.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.08 166.28 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -76.49 144.91 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -160.24 129.61 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.0 p -61.42 147.2 88.19 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.579 0.704 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.02 7.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -41.55 117.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -142.57 162.96 34.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -76.6 157.7 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.7 m -126.0 -39.33 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.096 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.55 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -135.14 172.55 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 p -128.14 161.18 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.92 134.06 2.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -77.66 106.52 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -45.53 163.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.54 133.73 2.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 t80 62.4 41.41 10.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 110.911 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.9 m -96.54 110.29 22.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 10' ' ' VAL . 10.8 p -106.82 117.94 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -119.0 146.58 44.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 9.9 m0 -92.4 162.58 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 p -118.78 153.86 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -41.48 -59.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ILE . 24.3 tt0 -37.27 -64.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.7 -54.65 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -44.49 -40.01 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.98 -49.09 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.97 -53.4 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.629 ' HE1' HD22 ' A' ' 24' ' ' LEU . 15.1 t80 -42.3 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 2.2 mp0 -55.87 -59.9 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 40.2 mt-30 -36.48 -62.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.11 73.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD22 ' HE1' ' A' ' 20' ' ' PHE . 11.2 tp -62.06 -38.05 87.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.45 -39.12 20.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -69.78 -63.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -77.5 -29.27 52.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 -142.81 15.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -86.7 29.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -85.02 110.55 19.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -80.09 -39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.401 ' HA ' HG22 ' A' ' 43' ' ' VAL . 64.0 p -55.38 -38.68 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -75.36 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -46.68 -58.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.5 p -40.64 -45.18 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -64.4 -46.71 82.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.77 -49.72 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.15 -42.51 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.86 -62.3 3.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.8 t -56.05 -36.94 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -87.29 178.59 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -141.28 153.92 45.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.1 t -35.01 -44.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.75 -66.49 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -44.17 -49.04 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.22 -54.11 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -39.69 -59.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 49' ' ' TYR . 12.0 t -61.36 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.3 t80 -34.51 -48.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.53 -54.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -72.53 -27.53 62.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.8 tt0 -68.34 -35.34 77.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.15 -43.56 95.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -68.98 -34.01 74.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -56.8 -32.74 65.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 57' ' ' LYS . 8.7 t-20 -75.07 -50.0 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 56' ' ' ASN . 28.1 mttm -34.61 -59.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 p -129.08 146.59 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -74.12 86.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.45 153.15 52.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -166.71 85.26 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -103.65 76.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -99.59 93.21 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -106.6 86.43 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -142.47 106.48 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 t -126.32 144.06 48.01 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 111.184 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 138.63 38.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -126.0 89.42 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -168.4 127.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -137.21 145.04 43.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.475 ' N ' ' HD2' ' A' ' 70' ' ' LYS . 9.8 t -172.8 144.97 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 p -66.96 172.86 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -114.59 97.92 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.798 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.08 159.62 20.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -173.98 166.55 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -108.16 -44.73 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.41 -90.52 1.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -158.1 122.02 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -108.96 161.82 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -112.95 116.48 52.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.52 153.61 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 11.1 m95 -96.04 143.86 26.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.9 p -95.99 152.87 18.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.26 -48.5 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -49.23 -53.89 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG2' HG21 ' A' ' 38' ' ' ILE . 23.6 mt-10 -63.98 -51.06 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.38 -48.33 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.15 -58.24 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 mt -49.25 -53.23 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -39.81 -51.92 2.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' LEU . 2.6 mm-40 -63.44 -60.04 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' GLU . 37.6 mt-30 -35.22 -48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.5 -30.62 44.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.1 tp -65.2 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -52.45 15.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -55.36 12.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -71.64 -30.01 65.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 95.33 -106.59 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -117.56 29.64 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' HD12 ' A' ' 34' ' ' ILE . 97.6 mtt180 -91.22 112.18 23.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.2 m95 -79.45 -43.65 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.9 p -51.87 -42.15 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -71.45 -60.65 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 30' ' ' ARG . 43.1 mt -48.02 -56.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -41.03 -43.68 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -62.77 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.03 -58.45 5.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.419 HG21 ' HG2' ' A' ' 16' ' ' GLU . 77.1 mt -65.71 -48.16 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.81 -43.79 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -60.43 -45.41 93.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -90.91 147.58 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -95.71 151.37 19.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.9 t -38.26 -42.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.38 -62.02 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.39 -43.18 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.2 -46.44 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 43.0 mttt -44.56 -45.46 9.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' TYR . 48.0 m -72.89 -67.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.3 t80 -36.42 -46.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -37.58 -48.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.9 ptp180 -79.48 -29.65 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 2.8 tt0 -65.13 -36.29 83.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 55' ' ' LYS . 24.3 t80 -62.15 -64.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' TYR . 61.4 m-85 -38.29 -27.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 53' ' ' TYR . 5.6 tttp -82.06 -54.35 5.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -59.02 -31.27 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HE2' ' CZ ' ' A' ' 53' ' ' TYR . 4.6 mtpm? -40.07 160.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 58' ' ' VAL . 12.5 t 60.81 46.22 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.115 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -64.45 127.1 30.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.6 m 61.53 43.16 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.1 -71.45 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.66 -59.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.3 115.42 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -111.44 46.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -119.95 130.97 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.6 p -152.62 144.49 16.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 112.8 3.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.39 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -98.79 118.83 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -128.04 168.24 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -116.91 134.74 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 72' ' ' GLY . 10.0 t -56.34 -42.76 78.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 71' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -106.34 126.61 52.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.8 m -111.12 99.18 8.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.21 70.28 1.04 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t 71.27 36.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -123.21 114.51 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.03 48.05 50.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -99.09 126.24 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p -118.11 128.36 54.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -114.46 118.68 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -153.67 141.06 19.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.453 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.3 m95 -76.75 137.41 39.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -92.19 149.89 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mm -42.42 -47.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -50.29 -51.63 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.09 -57.17 14.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -44.46 -42.53 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -63.68 -50.47 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.18 -55.82 29.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.74 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 4.6 t80 -45.48 -49.71 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.16 -52.89 63.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -38.56 -50.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.38 -46.62 14.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.74 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.9 tp -43.47 -32.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.91 -36.55 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -78.69 -64.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 24.6 m-85 -72.39 -29.08 63.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.56 -121.68 7.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -92.84 -22.02 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 30' ' ' ARG . 6.9 mmp_? -45.53 110.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.432 ' O ' ' C ' ' A' ' 32' ' ' THR . 21.2 m95 -76.65 -58.09 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 31' ' ' TRP . 37.4 p -35.3 -54.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 97.9 mttt -57.75 -55.3 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' SER . 64.2 mt -52.91 -59.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' ILE . 15.0 t -35.12 -49.96 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -55.76 -54.3 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.9 tp -42.59 -50.83 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.31 -55.84 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.44 3.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.2 m -66.45 -41.87 88.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -84.47 -175.39 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.8 p -137.55 150.86 47.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -38.7 -38.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.5 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -49.11 -40.39 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' LYS . 65.0 t -68.24 -57.41 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 53.9 mttm -37.8 -61.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 m -57.74 -64.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 52' ' ' GLN . 37.0 t80 -37.29 -46.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.05 -48.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -76.23 -32.28 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tm0? -61.7 -45.5 93.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -52.12 -55.95 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -67.12 -39.18 86.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -53.49 -40.99 65.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' LYS . 66.9 t30 -67.41 -49.6 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' ASN . 35.0 mttm -35.2 -57.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.58 109.54 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 56' ' ' ASN . 6.9 mmpt? -56.44 169.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.8 m 39.17 48.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.65 -152.98 29.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 62' ' ' LEU . 4.4 pp -85.35 32.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.51 -59.14 3.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -128.38 122.99 32.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.61 156.38 39.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.7 p -137.67 151.29 70.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.557 0.694 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.31 18.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -91.52 139.68 30.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.57 144.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -79.41 148.35 31.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.6 m -113.84 119.47 37.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -88.88 123.53 33.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -136.42 162.5 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.8 98.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -163.9 133.76 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.896 0.379 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -95.55 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.87 -50.36 1.22 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -149.97 120.39 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.922 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -122.33 151.35 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' VAL . 9.2 m -94.36 110.77 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -144.06 143.62 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -106.17 177.6 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.22 142.1 46.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.3 mt -49.95 -31.67 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 2.6 pt-20 -65.38 -35.69 81.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 74.4 mt-10 -85.22 -54.77 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -44.73 -44.09 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -58.44 -36.01 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -74.66 -36.9 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 7.8 t80 -60.14 -46.81 88.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.54 -43.33 85.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -46.67 -56.28 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.14 -41.49 53.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 8.7 tp -45.56 -32.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.75 -34.8 39.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 27' ' ' PHE . 11.6 tmtt? -81.13 -63.29 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 42.1 m-85 -72.19 -27.84 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.73 -103.99 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.506 ' O ' ' CE3' ' A' ' 31' ' ' TRP . 52.6 mtt-85 -115.14 -17.63 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -45.32 110.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 29' ' ' ARG . 11.6 m95 -76.97 -50.94 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.8 p -45.1 -38.41 5.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.08 -47.71 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 59.4 mt -60.84 -60.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' ILE . 18.2 p -37.35 -37.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -63.94 -45.39 89.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' ILE . 14.7 tp -52.31 -50.86 61.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 40' ' ' SER . 71.4 mt -66.77 -55.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.15 -37.26 2.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 38' ' ' ILE . 3.9 t -66.04 -44.49 84.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.88 -178.3 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' VAL . 62.7 p -129.3 152.54 48.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 47' ' ' LYS . 70.3 t -36.1 -43.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.28 -59.99 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -53.47 -41.34 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.26 -29.21 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 43' ' ' VAL . 74.3 mttt -77.11 -37.39 54.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.4 p -80.38 -17.64 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.0 t80 -84.66 -46.67 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -39.85 -39.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -36.67 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.7 tt0 -60.58 -43.8 96.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -55.9 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 58.1 m-85 -48.92 -42.74 38.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -60.19 -34.72 74.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -72.21 -1.83 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -118.94 -66.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' A' ' 61' ' ' GLY . 86.5 t -106.24 104.25 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 60' ' ' CYS . 39.7 mtpt -75.72 125.45 29.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' LYS . 28.3 p 34.97 42.5 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 58' ' ' VAL . . . 63.94 -146.24 50.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.633 HD23 ' H ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -110.68 41.34 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.79 0.329 . . . . 0.0 110.944 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.6 158.73 19.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -37.85 152.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.93 167.35 21.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.6 t -61.74 143.13 94.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 177.85 5.12 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -87.95 107.75 18.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -45.46 110.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -119.73 88.09 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 p -75.86 -46.6 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -125.61 150.55 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -88.41 161.16 17.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.52 111.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -138.2 161.36 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -101.4 166.43 10.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.03 108.9 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 61.91 42.48 10.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -101.99 129.29 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.2 t -97.87 51.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -75.53 155.13 36.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.432 ' CH2' ' HG3' ' A' ' 41' ' ' ARG . 7.9 m0 -79.03 147.09 32.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 153.66 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.2 mt -46.3 -50.34 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -50.75 -36.23 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -81.28 -34.89 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -71.44 -28.22 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -84.28 -43.29 14.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.09 -50.02 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.1 t80 -42.46 -51.94 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.65 -53.46 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -38.21 -57.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.21 -31.24 59.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 20' ' ' PHE . 9.5 tp -58.37 -24.59 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.78 -29.35 16.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -80.77 -59.67 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 57.8 m-85 -82.18 -21.95 36.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.92 -125.17 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 46.8 mtt180 -97.86 2.68 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -58.92 105.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.487 ' CD2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m95 -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.8 p -50.96 -39.28 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 49.4 mttt -76.54 -60.92 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -42.14 -51.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -50.88 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -58.83 -37.29 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.92 -59.92 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.428 HG21 ' HG3' ' A' ' 16' ' ' GLU . 59.2 mt -60.41 -47.7 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.37 -39.05 2.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 38' ' ' ILE . 40.4 t -65.28 -46.65 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.432 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 29.8 mmt180 -90.7 160.97 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' VAL . 63.4 p -116.2 152.23 34.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' THR . 96.9 t -34.02 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -68.66 -67.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -44.97 -35.5 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.92 -59.34 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -38.26 -41.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -71.47 -56.72 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.3 t80 -48.12 -42.33 28.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 52' ' ' GLN . 3.7 ptt85 -77.39 -35.68 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.2 tt0 -65.22 -27.53 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.463 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 34.3 t80 -67.59 -58.2 5.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -55.3 -34.21 63.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -67.09 -64.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -49.99 -46.88 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 4.8 mtmp? -37.47 -62.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.0 95.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -117.24 165.32 13.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 p -124.27 147.44 48.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 -50.52 1.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.504 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.4 mt -128.66 93.24 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -85.78 142.42 28.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.05 105.59 15.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.18 178.25 7.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.49 144.65 51.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.632 0.729 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 123.83 10.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -78.15 143.22 37.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -163.15 135.39 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.8 139.02 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -70.0 118.45 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -84.61 42.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -141.03 127.11 19.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.43 40.01 1.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -92.99 115.96 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -105.99 -51.99 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.45 -104.44 2.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 8.4 p90 -61.81 121.53 13.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -102.62 150.01 23.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.1 m -90.36 110.06 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -126.56 143.16 51.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 5.9 m95 -111.9 139.17 47.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.9 p -80.64 159.67 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.6 mp -52.81 -53.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.54 -58.36 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.521 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 54.9 mm-40 -46.7 -51.16 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -51.67 -42.45 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -73.16 -61.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -47.58 -56.31 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.4 t80 -41.81 -47.05 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.8 mt-10 -66.53 -55.82 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' GLU . 6.6 tt0 -37.81 -57.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.51 -34.99 67.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 34' ' ' ILE . 12.7 tp -52.21 -22.09 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.74 -66.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 27' ' ' PHE . 2.5 ptpp? -53.37 -28.32 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CE2' ' HD2' ' A' ' 26' ' ' LYS . 60.2 m-85 -104.26 -29.98 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 94.84 -141.24 15.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -88.1 30.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -91.81 108.21 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.503 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.3 m95 -71.07 -43.4 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.5 ' HA ' HG22 ' A' ' 43' ' ' VAL . 74.3 p -57.66 -39.77 77.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -68.47 -48.64 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD11 HD12 ' A' ' 24' ' ' LEU . 47.6 mt -60.96 -58.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ILE . 90.8 p -34.8 -42.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -64.46 -54.08 38.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -40.86 -56.73 2.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.488 HG21 ' OE1' ' A' ' 16' ' ' GLU . 31.3 mt -66.91 -46.19 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.43 -43.3 2.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -61.74 -48.19 81.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' CG ' ' OE1' ' A' ' 16' ' ' GLU . 2.9 mmp_? -83.08 -177.74 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' VAL . 71.6 p -136.87 152.54 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 32' ' ' THR . 95.3 t -33.99 -48.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.28 -71.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -39.53 -44.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 47' ' ' LYS . 93.2 t -63.05 -62.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' VAL . 48.2 mtpt -34.38 -45.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -51.0 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.8 t80 -60.58 -41.45 94.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -42.32 -43.06 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 3.2 ptt180 -86.02 -31.72 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 3.0 tt0 -64.37 -30.74 71.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.4 -52.63 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.444 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . 46.3 m-85 -57.94 -39.69 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -56.03 -37.79 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' LYS . 10.7 m-80 -77.42 -37.0 52.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 54' ' ' PHE . 18.2 mmmt -36.38 154.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 58' ' ' VAL . 24.1 t 68.86 48.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -76.26 161.72 28.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.8 t -47.17 112.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.526 ' C ' HD22 ' A' ' 62' ' ' LEU . . . -163.51 -124.23 0.7 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD22 ' C ' ' A' ' 61' ' ' GLY . 3.8 mm? -114.92 -54.16 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -40.35 116.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 65' ' ' GLU . 1.2 tmmt? -142.27 143.96 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 14.0 tm-20 -162.9 125.01 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.0 p -97.11 144.41 27.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.584 0.707 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 159.52 53.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.31 40.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -145.0 147.64 32.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' CD ' ' C ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -43.6 104.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.7 p -37.26 -51.47 1.04 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' C ' ' CD ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p -135.1 137.98 43.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -78.09 152.11 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.52 132.21 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -80.37 -55.62 4.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -101.41 99.11 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.58 82.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -104.62 163.67 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 p -126.03 153.93 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 10' ' ' VAL . 46.5 t -95.6 50.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 160.16 31.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CZ2' ' HG2' ' A' ' 41' ' ' ARG . 6.9 m95 -133.52 175.03 9.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 p -133.75 151.01 51.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.4 mp -43.72 -49.34 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -40.32 -44.79 2.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -80.74 -58.92 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' GLU . 38.3 mtpt -35.67 -41.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.63 -60.29 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' PHE . 75.2 mt -54.94 -60.23 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' LEU . 8.2 t80 -36.31 -57.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -56.95 -57.77 11.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -39.89 -57.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.48 91.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.439 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.87 -38.21 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.67 -39.27 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -71.28 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 39.9 m-85 -74.69 -27.49 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.95 -142.24 15.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -89.48 30.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -89.31 117.25 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -82.3 -35.64 27.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -37.93 87.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 15.6 mmmt -76.05 -49.11 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.454 HG22 HD11 ' A' ' 38' ' ' ILE . 70.9 mt -58.25 -53.36 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 43' ' ' VAL . 25.0 t -41.33 -52.01 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -57.16 -46.11 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -59.9 -43.1 95.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.454 HD11 HG22 ' A' ' 34' ' ' ILE . 44.1 mt -67.2 -38.04 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.25 -65.05 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -59.42 -58.49 8.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.653 HH21 ' NE2' ' A' ' 45' ' ' GLN . 2.0 tpm_? -71.28 138.42 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -98.32 152.19 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' THR . 98.7 t -33.81 -43.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.05 -62.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.653 ' NE2' HH21 ' A' ' 41' ' ' ARG . 19.8 mt-30 -49.01 -41.69 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.63 -51.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -43.26 -52.7 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.32 -64.01 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 52' ' ' GLN . 42.6 t80 -38.49 -45.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -53.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -74.27 -26.31 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' TYR . 14.0 tm0? -68.48 -33.09 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -63.77 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -57.48 -42.73 83.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -44.53 -45.5 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' LYS . 33.5 m-20 -62.7 -55.04 30.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -34.31 -65.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.4 t -118.88 136.87 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -89.7 148.61 23.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.4 m -104.56 -60.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -103.41 132.48 11.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -77.04 -31.0 55.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.54 85.83 5.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -120.08 148.49 43.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -88.14 152.79 21.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.2 p -141.72 152.57 63.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 111.18 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.41 53.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -58.92 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -137.57 150.91 47.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 147.4 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -56.45 -39.48 73.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -103.1 83.09 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -70.3 176.4 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.78 99.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -108.77 88.73 2.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -96.18 41.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.62 -104.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -97.55 136.96 37.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' VAL . 2.8 m -114.8 81.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 10' ' ' VAL . 29.4 m -34.11 106.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -104.77 170.3 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -108.72 156.11 19.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -114.94 149.09 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mm -39.91 -49.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -49.67 -55.14 14.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -52.29 -47.76 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -57.27 -46.43 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.7 mt -58.25 -46.45 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.525 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 45.8 t80 -52.67 -44.33 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -64.14 -57.58 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 5.5 tt0 -35.37 -56.77 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.41 55.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 10.5 tp -43.2 -39.68 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.74 -39.97 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.71 -63.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -71.0 -29.94 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 100.81 -102.58 2.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -119.49 31.7 6.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' HD12 ' A' ' 34' ' ' ILE . 56.0 mtt-85 -93.52 116.97 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -82.2 -40.45 21.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.644 ' HA ' HG22 ' A' ' 43' ' ' VAL . 63.5 m -55.53 -41.42 73.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 33.4 mmtt -70.73 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 30' ' ' ARG . 46.1 mt -40.75 -44.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.9 m -55.94 -38.35 70.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.24 -41.56 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.75 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 40' ' ' SER . 74.2 mt -61.86 -55.3 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -39.46 3.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.411 ' H ' HG22 ' A' ' 38' ' ' ILE . 72.6 m -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.3 mmp_? -92.13 173.09 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 p -121.92 159.39 26.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 32' ' ' THR . 42.3 t -41.87 -37.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -64.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 40.4 mm-40 -47.84 -45.52 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.26 -44.23 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 31.7 mtpt -55.38 -54.25 46.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -63.98 -52.51 59.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 t80 -47.48 -49.67 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.2 -36.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -80.71 -40.79 24.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.9 tt0 -60.42 -39.99 89.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.526 ' CE2' ' HE2' ' A' ' 57' ' ' LYS . 28.7 t80 -52.72 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -51.5 -45.24 62.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -52.91 -45.0 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 57' ' ' LYS . 25.5 m-20 -70.58 -50.45 37.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 53' ' ' TYR . 17.2 mtmt -34.41 -62.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG22 ' H ' ' A' ' 60' ' ' CYS . 3.1 p -88.22 119.06 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -109.27 41.58 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.449 ' H ' HG22 ' A' ' 58' ' ' VAL . 52.0 t -50.8 103.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.32 -72.13 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 62' ' ' LEU . 2.1 pp -169.21 119.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.951 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -114.5 -59.38 2.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 tttt 49.95 41.01 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.38 139.3 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 t -54.94 143.37 52.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.554 0.693 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.99 15.32 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.239 . . . . 0.0 112.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -151.45 148.16 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.17 95.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -87.94 134.62 33.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.2 m -141.88 128.18 19.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 m -114.76 -47.06 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t 46.4 42.15 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.28 114.67 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -124.56 99.84 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 t -60.03 -62.27 2.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.53 66.3 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -159.05 168.35 26.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.962 0.411 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -141.32 109.37 5.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 10' ' ' VAL . 1.4 p -89.83 14.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -38.66 147.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -52.33 161.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -118.33 150.07 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -42.72 -58.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -43.82 -40.03 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -75.07 -44.4 47.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -58.09 -39.54 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 5.9 pt-20 -69.26 -35.45 76.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 25.6 mt -72.51 -46.59 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.8 t80 -51.46 -48.99 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.5 -54.42 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.51 -56.43 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.41 -27.78 69.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 20' ' ' PHE . 11.7 tp -64.12 -34.94 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.22 -35.57 21.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.54 -61.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -77.13 -28.65 54.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.99 -133.39 11.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -96.64 27.26 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.09 110.19 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 6.5 m95 -80.3 -31.98 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.459 ' HA ' HG22 ' A' ' 43' ' ' VAL . 7.1 p -68.22 -25.06 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -86.02 -49.66 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.55 -43.38 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 t -52.34 -47.97 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -65.39 -43.06 91.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.71 -56.47 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.9 mt -67.5 -49.99 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.92 -41.1 2.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.7 t -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -99.04 172.09 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.6 p -121.41 156.6 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 32' ' ' THR . 78.9 t -38.93 -43.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.48 -65.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -44.37 -50.04 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.48 -52.15 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 24.0 mtpp -44.32 -52.88 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' TYR . 8.2 t -63.08 -68.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' GLN . 24.7 t80 -35.17 -47.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.64 -48.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.57 -32.95 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 tm0? -66.75 -28.56 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -75.95 -54.98 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -54.34 -24.93 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -83.51 -65.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.97 -23.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' CE ' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -42.18 -69.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.547 ' O ' HG12 ' A' ' 58' ' ' VAL . 25.3 t -106.98 -0.55 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -162.7 115.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.5 142.34 45.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.31 -94.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -107.43 79.6 1.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -160.07 169.12 24.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -124.43 111.35 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -143.77 145.52 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.5 p -70.86 144.82 91.09 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.542 0.687 . . . . 0.0 111.149 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.69 31.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -152.6 152.44 31.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.18 156.85 36.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -93.31 142.41 27.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 m -70.48 140.74 51.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -65.2 84.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m 63.93 48.34 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.9 135.88 3.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -50.63 -57.36 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.815 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -93.8 -45.2 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.65 -80.85 0.28 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -136.76 139.13 41.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.921 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -78.9 135.45 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -95.2 79.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -53.04 146.27 11.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -66.07 169.59 6.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.1 p -117.9 150.42 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.69 -55.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -44.69 -61.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -53.66 40.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -43.58 -40.27 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.11 -60.32 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.7 mt -48.84 -52.92 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 4.0 t80 -45.05 -50.38 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' LEU . 13.3 mt-10 -59.82 -55.67 31.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -38.1 -58.77 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.37 -18.44 75.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 10.6 tp -70.21 -17.37 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -54.29 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -64.48 -44.07 92.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -91.27 -25.2 19.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -132.72 11.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -92.17 21.12 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -76.81 113.61 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 9.6 m95 -79.79 -45.79 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.693 ' HA ' HG22 ' A' ' 43' ' ' VAL . 73.7 p -53.25 -45.69 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -63.97 -63.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 89.7 mt -43.08 -59.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ILE . 34.6 m -34.54 -53.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -47.44 -44.18 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' ILE . 7.9 tp -56.09 -70.55 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -49.58 -48.24 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.84 -42.64 2.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -63.96 -45.08 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -85.57 172.52 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' VAL . 66.7 p -130.16 152.93 49.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 32' ' ' THR . 89.1 t -34.0 -45.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.36 -66.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -45.18 -52.66 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.06 -43.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 58.5 mttt -56.3 -38.82 71.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.0 p -75.44 -50.21 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.2 t80 -56.34 -51.25 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -34.0 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 mtp-105 -85.9 -49.12 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -50.22 -39.83 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -57.56 -60.98 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 55.0 m-85 -47.8 -43.88 28.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -47.04 -42.44 18.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 57' ' ' LYS . 80.6 m-20 -76.64 -45.76 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' ASN . 15.7 mmmt -34.77 -61.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 58' ' ' VAL . 14.5 p -92.12 119.04 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' VAL . 7.4 mtmp? -37.64 153.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 90.8 m -138.71 142.68 38.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.537 ' C ' HD22 ' A' ' 62' ' ' LEU . . . 37.7 -108.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.506 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD22 ' C ' ' A' ' 61' ' ' GLY . 3.6 mm? -114.78 88.32 2.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.14 151.41 29.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -121.89 -50.52 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -91.25 147.57 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.8 p -134.86 145.34 54.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.591 0.71 . . . . 0.0 111.09 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -178.22 2.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -98.25 38.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -123.39 99.42 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 156.58 22.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.1 m -72.78 105.84 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m 65.87 42.33 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 4' ' ' GLY . 79.7 p -83.82 42.61 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.72 44.24 0.45 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -78.32 101.74 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 m -144.55 151.03 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.47 83.33 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 t80 60.62 49.08 6.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.8 p -118.29 136.53 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 10' ' ' VAL . 34.2 m -96.4 112.99 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -138.93 153.63 48.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -120.68 149.57 42.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -109.86 153.75 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -43.96 -54.89 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -43.88 -61.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -52.43 -60.27 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -39.9 -48.17 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.49 -48.26 69.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.99 -52.45 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 12.7 t80 -48.37 -49.03 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -40.61 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.1 -49.61 76.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.16 -28.59 61.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.6 tp -61.45 -33.26 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.37 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -73.42 -62.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -77.95 -28.86 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.68 -143.03 15.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -86.83 29.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -90.98 114.69 27.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.7 m95 -79.56 -41.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -57.22 -34.24 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -77.15 -53.38 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.82 -50.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t -42.47 -45.6 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.2 tp -50.12 -45.39 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.7 mt -76.44 -53.09 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.31 2.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -65.43 -41.56 93.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 1.8 mmp_? -97.3 169.97 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.6 p -116.85 156.2 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.476 ' CG1' ' HE2' ' A' ' 47' ' ' LYS . 76.0 t -38.11 -41.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.37 -69.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 41.9 mm-40 -40.8 -40.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' TYR . 99.5 t -67.5 -58.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HE2' ' CG1' ' A' ' 43' ' ' VAL . 34.2 mttm -42.47 -35.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -80.15 -29.42 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.3 t80 -76.62 -53.16 8.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.99 -44.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -80.73 -34.41 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm0? -60.65 -46.06 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.658 ' CD1' ' ND2' ' A' ' 56' ' ' ASN . 27.5 t80 -49.76 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -37.87 -35.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -59.52 -54.17 49.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.658 ' ND2' ' CD1' ' A' ' 53' ' ' TYR . 2.5 p30 -54.06 -50.16 67.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' A' ' 56' ' ' ASN . 12.8 mtmm -34.55 -54.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.607 ' O ' HG13 ' A' ' 58' ' ' VAL . 11.8 p -136.56 109.62 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.67 171.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.8 t -113.5 -56.63 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.87 -145.88 9.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.12 87.37 2.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.805 0.336 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -174.23 114.22 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -93.8 110.82 22.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HG2' HG22 ' A' ' 66' ' ' THR . 2.0 pm0 -92.45 -27.6 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.576 HG22 ' HG2' ' A' ' 65' ' ' GLU . 14.1 t -170.18 140.99 1.66 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 111.187 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 173.98 10.14 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -111.04 127.45 55.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -161.33 122.05 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 71' ' ' THR . 1.4 tmtp? -111.74 139.98 46.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.426 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 40.9 m -103.55 93.72 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' GLY . 53.3 m -34.59 127.83 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -55.74 122.43 11.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.9 -172.97 21.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m 43.64 41.89 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -129.85 114.46 15.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.52 137.07 2.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -95.07 158.26 15.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.934 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 10' ' ' VAL . 6.3 t -81.74 110.84 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 9' ' ' SER . 21.8 t -33.96 107.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -153.96 138.91 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.534 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 20.3 m95 -55.49 168.01 0.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' ILE . 46.5 p -142.49 149.07 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' THR . 35.7 mt -35.6 -55.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -43.02 -55.25 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.04 -57.45 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -39.1 -40.82 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.06 -59.66 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.8 mt -49.92 -44.01 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -52.02 -46.78 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' GLN . 3.6 mm-40 -67.32 -54.66 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . 2.1 tt0 -36.89 -52.83 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.59 -31.32 60.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -56.59 -23.47 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.65 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HE2' ' CZ ' ' A' ' 27' ' ' PHE . 19.2 ptmt -58.58 -47.95 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 37.8 m-85 -82.94 -29.13 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.15 -135.28 12.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -90.44 12.6 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mmt-85 -71.32 115.42 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 13.8 m95 -82.78 -39.02 22.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.9 p -54.68 -41.01 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.46 -60.19 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -46.66 -51.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.413 ' HA ' HG21 ' A' ' 46' ' ' VAL . 14.0 t -46.64 -43.34 17.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -67.4 -46.03 74.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.24 -55.95 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.35 -42.67 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.4 -59.1 4.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -50.35 -42.98 53.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 8.3 mmt-85 -83.53 179.3 7.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.2 p -134.77 155.96 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -38.0 -44.57 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -64.42 -69.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -41.39 -47.0 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 35' ' ' SER . 87.0 t -62.51 -48.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 9.4 mtpm? -51.99 -39.77 59.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.3 t -71.18 -60.56 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 t80 -41.71 -44.17 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.14 -45.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -72.28 -33.53 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tt0 -65.2 -35.34 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.15 -60.54 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.76 -24.27 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -71.87 -49.45 37.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' LYS . 21.9 t30 -55.26 -51.59 66.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' ASN . 17.4 mtmm -34.28 -65.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 58' ' ' VAL . 11.4 p -107.51 121.94 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -94.71 147.41 23.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.5 t -122.46 139.54 53.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.99 125.06 0.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.707 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -43.95 -38.98 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -136.31 164.11 28.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -163.47 121.82 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.06 83.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 67' ' ' PRO . 83.9 m -154.32 139.16 11.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.567 0.699 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 66' ' ' THR . 54.1 Cg_endo -69.7 87.97 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.742 2.295 . . . . 0.0 112.352 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -41.96 -43.55 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -152.36 133.18 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -166.39 156.52 12.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 72' ' ' GLY . 75.8 p -121.51 -31.14 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 p -92.44 42.48 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -126.83 -57.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.1 92.11 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -111.02 115.64 29.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -53.96 -40.54 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.42 167.7 11.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -73.23 161.51 30.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -114.23 143.62 44.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 10' ' ' VAL . 39.7 t -91.93 50.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 12' ' ' TRP . 5.5 tppp? -73.49 153.58 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 14.6 m95 -114.76 145.29 42.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 p -95.4 145.53 25.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -44.24 -55.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.72 -56.2 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 38' ' ' ILE . 6.5 mm-40 -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -40.27 -44.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.9 -50.77 72.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -58.68 -44.43 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.735 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 34.5 t80 -52.76 -56.26 16.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' GLN . 11.6 mt-10 -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -35.59 -57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.05 -45.58 55.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 9.3 tp -45.93 -21.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 -37.83 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -79.99 -57.3 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -79.07 -23.55 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.6 -113.25 4.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -110.28 14.85 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.58 111.44 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 7.8 m95 -77.92 -40.2 40.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.8 p -59.16 -28.12 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.64 -57.73 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mt -52.38 -53.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -38.23 -52.41 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.18 -42.54 91.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -49.47 -41.87 41.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.424 HG23 ' OE1' ' A' ' 16' ' ' GLU . 79.4 mt -83.3 -54.42 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.59 -45.23 3.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -59.89 -37.95 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . 6.4 mmp_? -102.06 155.45 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -92.32 171.47 9.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.25 -36.24 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -58.64 -49.27 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -41.79 99.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.26 -25.2 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.533 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 80.9 mttt -78.72 -37.54 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 t -85.36 -18.87 32.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -80.89 -46.25 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -41.53 -41.18 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.4 -35.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.41 -45.33 91.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.77 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -46.93 -30.51 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -80.78 -42.27 22.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -62.34 -43.49 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -39.61 -61.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.8 t -117.29 127.86 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -125.72 121.42 33.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 93.7 m -46.14 103.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.76 83.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 mt -87.09 81.87 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -91.93 42.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt 61.07 43.19 11.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -95.6 170.24 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 p -92.8 147.52 34.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.571 0.7 . . . . 0.0 111.176 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.87 3.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -134.28 168.1 19.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -125.37 110.31 13.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -53.68 144.95 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.6 m -126.94 144.24 51.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -124.21 -45.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -61.8 110.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.89 173.59 17.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -129.75 -54.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -68.36 154.28 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.99 153.68 6.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 69.39 40.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' VAL . 17.0 m -91.91 42.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' SER . 1.4 m -34.63 106.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -120.63 151.53 39.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 49' ' ' TYR . 8.9 m0 -109.0 171.6 7.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.2 p -132.69 148.59 52.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.9 mp -37.97 -46.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -49.9 -58.0 6.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 24.0 mt-10 -62.17 -52.39 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -46.85 -40.89 14.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.18 -48.11 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.39 -59.87 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -39.88 -48.56 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.84 -56.61 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -38.14 -60.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.27 73.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.638 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 11.9 tp -55.29 -19.99 10.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.94 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 pttt -57.23 -27.92 62.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 26' ' ' LYS . 45.5 m-85 -105.52 -29.62 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 97.34 -141.34 15.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.04 28.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 115.03 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 8.5 m95 -78.6 -38.6 39.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.469 ' HA ' HG22 ' A' ' 43' ' ' VAL . 21.9 m -60.08 -39.33 85.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -69.6 -49.85 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 37' ' ' LEU . 58.7 mt -60.53 -52.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' ILE . 51.6 p -37.73 -45.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -65.14 -40.44 94.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 tp -54.77 -64.29 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.18 -42.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.01 -43.55 3.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -73.03 -43.08 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.682 ' HB3' HG23 ' A' ' 46' ' ' VAL . 4.5 mpt_? -74.73 -178.43 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' LEU . 71.4 p -148.89 151.88 35.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 32' ' ' THR . 85.2 t -33.39 -34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' THR . 41.8 mt -76.07 -60.92 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.59 -50.52 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.682 HG23 ' HB3' ' A' ' 41' ' ' ARG . 74.3 t -58.24 -27.22 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -75.74 -42.24 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -73.9 -21.76 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.799 ' CE2' ' CE3' ' A' ' 12' ' ' TRP . 1.7 t80 -84.08 -51.22 7.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.23 -40.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -81.08 -37.35 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.2 tt0 -63.0 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -50.13 -54.13 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -49.73 -38.48 33.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' LYS . 27.2 t-20 -73.8 -47.6 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' ASN . 37.6 mtpt -34.18 -45.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.9 p -151.81 147.9 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 104.83 16.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 t -106.09 138.28 42.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.78 158.78 29.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp -128.37 26.9 5.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.61 39.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -162.09 159.4 26.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -106.25 101.0 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.0 t -145.68 142.63 18.23 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.572 0.701 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.99 29.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -76.57 104.12 6.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 tm0? -124.53 95.18 4.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -105.48 -52.94 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.2 p -48.26 103.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.778 0.323 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -125.43 151.5 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.2 mt -40.98 -53.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.68 -42.95 46.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.67 -43.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -59.45 -42.87 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 8.9 pt-20 -67.24 -39.67 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 63.5 mt -66.71 -48.58 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.08 -48.62 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.24 -57.31 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.4 -59.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.54 92.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 12.1 tp -53.01 -44.1 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.38 -45.38 22.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.1 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.88 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 67.1 m-85 -72.7 -29.61 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 105.02 -144.95 15.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -86.5 31.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -90.29 114.59 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.94 -43.38 18.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.3 p -50.66 -41.15 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 51.3 mttm -72.7 -59.34 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.8 mt -46.34 -62.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -38.64 -44.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -64.94 -51.85 59.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 tp -44.66 -59.86 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.08 -44.93 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.66 -44.18 2.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -62.31 -51.01 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.53 177.15 9.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 67.9 p -130.91 153.62 48.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.7 t -34.25 -44.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.55 -70.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -40.3 -46.62 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.05 -51.57 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -45.56 -55.35 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -62.31 -62.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 28.7 t80 -39.22 -45.67 1.39 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.83 -48.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.7 ptp85 -80.54 -27.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.0 tt0 -66.23 -36.66 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -60.63 -59.13 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.476 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 12.5 m95 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.874 0.369 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ILE . 47.2 p -130.53 140.8 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.761 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.3 mp -36.52 -55.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -42.67 -55.07 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 41' ' ' ARG . 50.2 mt-10 -64.7 -53.56 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -40.34 -39.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.6 -56.74 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.46 -54.88 10.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 5.3 t80 -39.62 -59.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' GLN . 8.2 mt-10 -47.55 -58.14 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -37.37 -61.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.49 92.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.598 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.9 tp -59.44 -40.0 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.63 21.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -70.4 -61.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -76.01 -27.21 57.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 102.58 -142.87 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HD2' ' CH2' ' A' ' 31' ' ' TRP . 7.3 mmm-85 -85.03 32.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' HD12 ' A' ' 34' ' ' ILE . 18.5 mmm180 -90.34 117.3 28.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.443 ' CH2' ' HD2' ' A' ' 29' ' ' ARG . 11.6 m95 -83.72 -41.28 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.636 ' HA ' HG22 ' A' ' 43' ' ' VAL . 22.5 m -58.49 -42.17 86.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -68.81 -56.66 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 24' ' ' LEU . 68.5 mt -51.81 -56.35 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.4 p -38.27 -43.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -64.8 -49.48 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 tp -45.83 -43.03 13.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.42 -43.11 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.24 -47.55 2.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -57.35 -47.23 82.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.475 ' CZ ' ' OE1' ' A' ' 16' ' ' GLU . 4.9 mmt-85 -85.39 179.09 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.3 p -131.81 153.18 50.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 32' ' ' THR . 93.2 t -38.31 -42.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -65.09 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.04 -47.16 22.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 79.9 t -61.98 -56.37 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' VAL . 7.4 mtpm? -34.5 -60.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t -60.91 -53.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 1.7 t80 -42.85 -53.76 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.26 -34.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -83.1 -37.56 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.4 tt0 -61.22 -42.2 98.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -52.57 -61.63 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 p -96.97 158.76 15.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.8 mp -55.51 -51.02 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -53.96 -19.39 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.437 ' OE1' HG21 ' A' ' 38' ' ' ILE . 28.2 mm-40 -94.05 -47.63 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -56.28 -29.56 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.45 -37.78 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 mt -70.88 -39.85 72.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -55.91 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.05 -51.43 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -40.68 -56.02 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 -32.61 68.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.41 -38.15 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.56 -40.53 25.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.48 -64.37 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 20.4 m-85 -71.65 -28.52 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.77 -129.82 10.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -96.84 19.36 12.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -78.92 107.6 11.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.427 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.0 m95 -72.5 -31.44 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.0 p -67.34 -51.32 53.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 8.5 mptt -56.46 -47.24 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 30' ' ' ARG . 19.8 mt -63.76 -60.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -67.45 -46.06 74.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.26 -43.01 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.437 HG21 ' OE1' ' A' ' 16' ' ' GLU . 51.0 mt -76.73 -48.4 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.56 -40.43 2.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -63.19 -50.63 69.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -87.03 173.59 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.6 p -124.0 151.95 43.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' THR . 95.4 t -35.68 -44.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 mt -62.89 -63.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -45.66 -44.96 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 -52.32 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 47.2 mttt -43.36 -47.18 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.5 t -71.2 -60.78 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.2 t80 -40.75 -50.46 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -35.5 -41.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -76.47 -41.73 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.6 tt0 -59.1 -45.3 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -50.96 -57.65 8.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.45 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.2 m0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.856 0.36 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -103.85 145.55 29.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.2 mp -46.89 -43.98 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.04 -39.56 63.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.6 mt-10 -77.97 -55.16 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLU . 50.1 mttt -37.9 -44.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.42 -52.14 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.35 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 8.1 t80 -39.55 -57.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.37 -48.48 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -44.88 -54.32 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.84 -28.62 68.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.611 ' HA ' HD11 ' A' ' 34' ' ' ILE . 6.3 tp -65.42 -31.56 72.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.02 -36.2 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -73.07 -63.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -77.02 -26.49 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 -139.07 14.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 mmt-85 -90.04 31.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -92.07 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -79.95 -40.85 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.549 ' HA ' HG22 ' A' ' 43' ' ' VAL . 76.0 p -57.18 -34.75 68.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -77.57 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 24' ' ' LEU . 77.9 mt -48.13 -54.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 t -38.92 -51.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -56.85 -45.13 82.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.62 -58.61 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.61 -50.56 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.16 -45.67 3.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -61.88 -45.58 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -92.32 174.27 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 p -123.55 160.0 27.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 32' ' ' THR . 50.4 t -39.53 -44.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.06 -70.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.86 -50.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' LYS . 69.6 t -58.24 -56.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 23.1 mttm -37.0 -59.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' TYR . 49.0 m -59.57 -67.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 t80 -34.81 -45.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -38.1 -51.55 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -75.81 -25.94 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 tm0? -68.79 -36.83 78.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' PHE . 22.3 t80 -63.8 -66.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.423 ' C ' ' O ' ' A' ' 53' ' ' TYR . 53.8 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.408 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 9.3 m95 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.838 0.351 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.4 p -107.66 137.21 46.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' THR . 38.6 mm -34.38 -48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.13 -51.99 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -62.16 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -38.68 -45.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.6 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.66 -48.51 80.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CE2' HD22 ' A' ' 24' ' ' LEU . 7.5 t80 -47.11 -51.06 18.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLN . 10.0 mt-10 -56.82 -56.98 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLU . 3.0 tt0 -36.77 -61.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -36.5 91.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD22 ' CE2' ' A' ' 20' ' ' PHE . 13.7 tp -54.28 -39.18 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.78 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.07 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -67.53 -64.01 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -75.23 -29.51 60.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 106.12 -139.67 14.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -86.7 29.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -87.62 116.98 26.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.447 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 8.0 m95 -81.1 -41.81 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -57.06 -45.23 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -64.75 -52.31 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.463 HD12 ' O ' ' A' ' 30' ' ' ARG . 47.6 mt -57.39 -58.2 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 p -41.96 -45.59 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -62.67 -53.25 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.9 -52.69 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.83 -47.31 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.74 -45.75 3.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -62.16 -52.77 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 49.1 mmt-85 -77.71 172.75 12.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -125.92 149.88 48.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' THR . 94.8 t -36.16 -45.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.52 -62.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -47.74 -42.82 26.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.74 -53.72 38.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 37.1 mtmt -41.51 -60.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -58.64 -58.59 7.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.2 t80 -41.03 -50.0 3.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -39.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -76.81 -41.06 45.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tt0 -55.55 -45.55 77.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -57.72 -47.77 81.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' ILE . 68.9 p -115.07 138.04 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.1 mp -33.98 -59.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' ILE . 10.3 tp10 -35.94 -47.85 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -54.83 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.23 -40.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.46 -59.18 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.95 -43.55 66.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -52.71 -44.76 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.8 -53.32 27.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -38.84 -55.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.3 -26.81 67.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HA ' HD11 ' A' ' 34' ' ' ILE . 12.1 tp -63.62 -35.29 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.46 -34.33 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -76.31 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 47.6 m-85 -79.07 -28.13 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.7 -137.05 13.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -93.12 23.12 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -79.56 115.12 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.99 -36.35 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -58.66 -38.14 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 34.7 mttt -75.82 -62.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 24' ' ' LEU . 75.1 mt -44.85 -47.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -42.19 -54.96 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -56.48 -55.7 30.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -39.84 -57.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -49.04 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.33 -46.05 3.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.6 t -60.16 -55.49 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -75.66 177.87 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -133.89 149.53 51.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' THR . 85.7 t -34.56 -43.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.97 -61.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -50.76 -45.16 58.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.77 -50.57 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -47.26 -58.45 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.4 m -60.26 -59.09 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.0 t80 -41.83 -53.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.583 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -34.02 -36.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.4 mtt180 -80.87 -44.75 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -54.09 -39.4 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -60.8 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 52.8 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 9.9 m0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.87 0.367 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 p -118.78 153.86 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -41.48 -59.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ILE . 24.3 tt0 -37.27 -64.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.7 -54.65 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -44.49 -40.01 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.98 -49.09 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.97 -53.4 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.629 ' HE1' HD22 ' A' ' 24' ' ' LEU . 15.1 t80 -42.3 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 2.2 mp0 -55.87 -59.9 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 40.2 mt-30 -36.48 -62.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.11 73.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD22 ' HE1' ' A' ' 20' ' ' PHE . 11.2 tp -62.06 -38.05 87.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.45 -39.12 20.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -69.78 -63.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -77.5 -29.27 52.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 -142.81 15.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -86.7 29.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -85.02 110.55 19.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -80.09 -39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.401 ' HA ' HG22 ' A' ' 43' ' ' VAL . 64.0 p -55.38 -38.68 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -75.36 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -46.68 -58.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.5 p -40.64 -45.18 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -64.4 -46.71 82.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.77 -49.72 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.15 -42.51 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.86 -62.3 3.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.8 t -56.05 -36.94 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -87.29 178.59 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -141.28 153.92 45.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.1 t -35.01 -44.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.75 -66.49 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -44.17 -49.04 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.22 -54.11 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -39.69 -59.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 49' ' ' TYR . 12.0 t -61.36 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.3 t80 -34.51 -48.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.53 -54.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -72.53 -27.53 62.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.8 tt0 -68.34 -35.34 77.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.15 -43.56 95.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 11.1 m95 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.826 0.346 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.9 p -95.99 152.87 18.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.26 -48.5 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -49.23 -53.89 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG2' HG21 ' A' ' 38' ' ' ILE . 23.6 mt-10 -63.98 -51.06 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.38 -48.33 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.15 -58.24 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 mt -49.25 -53.23 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -39.81 -51.92 2.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' LEU . 2.6 mm-40 -63.44 -60.04 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' GLU . 59.4 mt-30 -35.22 -48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.5 -30.62 44.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.1 tp -65.2 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -52.45 15.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -55.36 12.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -71.64 -30.01 65.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 95.33 -106.59 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -117.56 29.64 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' HD12 ' A' ' 34' ' ' ILE . 97.6 mtt180 -91.22 112.18 23.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.2 m95 -79.45 -43.65 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.9 p -51.87 -42.15 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -71.45 -60.65 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 30' ' ' ARG . 43.1 mt -48.02 -56.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -41.03 -43.68 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -62.77 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.03 -58.45 5.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.419 HG21 ' HG2' ' A' ' 16' ' ' GLU . 77.1 mt -65.71 -48.16 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.81 -43.79 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -60.43 -45.41 93.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -90.91 147.58 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -95.71 151.37 19.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.9 t -38.26 -42.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.38 -62.02 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.39 -43.18 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.2 -46.44 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 43.0 mttt -44.56 -45.46 9.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' TYR . 48.0 m -72.89 -67.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.3 t80 -36.42 -46.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -37.58 -48.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.9 ptp180 -79.48 -29.65 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 2.8 tt0 -65.13 -36.29 83.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' PHE . 24.3 t80 -62.15 -64.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' TYR . 61.4 m-85 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.453 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.3 m95 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.871 0.367 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -92.19 149.89 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mm -42.42 -47.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -50.29 -51.63 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.09 -57.17 14.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -44.46 -42.53 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -63.68 -50.47 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.18 -55.82 29.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.74 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 4.6 t80 -45.48 -49.71 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.16 -52.89 63.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -38.56 -50.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.38 -46.62 14.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.74 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.9 tp -43.47 -32.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.91 -36.55 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -78.69 -64.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 24.6 m-85 -72.39 -29.08 63.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.56 -121.68 7.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -92.84 -22.02 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 30' ' ' ARG . 6.9 mmp_? -45.53 110.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.432 ' O ' ' C ' ' A' ' 32' ' ' THR . 21.2 m95 -76.65 -58.09 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 31' ' ' TRP . 37.4 p -35.3 -54.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 97.9 mttt -57.75 -55.3 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' SER . 64.2 mt -52.91 -59.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' ILE . 15.0 t -35.12 -49.96 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -55.76 -54.3 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.9 tp -42.59 -50.83 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.31 -55.84 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.44 3.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.2 m -66.45 -41.87 88.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.474 ' CZ ' ' NE2' ' A' ' 45' ' ' GLN . 5.2 mmp_? -84.47 -175.39 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.8 p -137.55 150.86 47.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -38.7 -38.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.5 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' A' ' 41' ' ' ARG . 21.0 mt-30 -49.11 -40.39 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' LYS . 65.0 t -68.24 -57.41 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 53.9 mttm -37.8 -61.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 m -57.74 -64.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 52' ' ' GLN . 37.0 t80 -37.29 -46.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.05 -48.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -76.23 -32.28 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tm0? -61.7 -45.5 93.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -52.12 -55.95 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.0 m0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.851 0.357 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.22 142.1 46.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.3 mt -49.95 -31.67 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 2.6 pt-20 -65.38 -35.69 81.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 74.4 mt-10 -85.22 -54.77 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -44.73 -44.09 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -58.44 -36.01 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -74.66 -36.9 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 7.8 t80 -60.14 -46.81 88.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.54 -43.33 85.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -46.67 -56.28 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.14 -41.49 53.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.507 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 8.7 tp -45.56 -32.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.75 -34.8 39.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 27' ' ' PHE . 11.6 tmtt? -81.13 -63.29 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.404 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 42.1 m-85 -72.19 -27.84 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.73 -103.99 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.506 ' O ' ' CE3' ' A' ' 31' ' ' TRP . 52.6 mtt-85 -115.14 -17.63 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -45.32 110.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 29' ' ' ARG . 11.6 m95 -76.97 -50.94 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.8 p -45.1 -38.41 5.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.08 -47.71 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 59.4 mt -60.84 -60.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' ILE . 18.2 p -37.35 -37.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -63.94 -45.39 89.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' ILE . 14.7 tp -52.31 -50.86 61.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 40' ' ' SER . 71.4 mt -66.77 -55.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.15 -37.26 2.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 38' ' ' ILE . 3.9 t -66.04 -44.49 84.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.88 -178.3 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' VAL . 62.7 p -129.3 152.54 48.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 47' ' ' LYS . 70.3 t -36.1 -43.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.28 -59.99 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.445 ' N ' HE21 ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.47 -41.34 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.26 -29.21 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 43' ' ' VAL . 74.3 mttt -77.11 -37.39 54.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.4 p -80.38 -17.64 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.0 t80 -84.66 -46.67 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -39.85 -39.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -36.67 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.7 tt0 -60.58 -43.8 96.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -55.9 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 58.1 m-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.432 ' CH2' ' HG3' ' A' ' 41' ' ' ARG . 7.9 m0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.862 0.363 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 153.66 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.2 mt -46.3 -50.34 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -50.75 -36.23 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -81.28 -34.89 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -71.44 -28.22 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -84.28 -43.29 14.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.09 -50.02 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.1 t80 -42.46 -51.94 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.65 -53.46 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -38.21 -57.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.21 -31.24 59.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 20' ' ' PHE . 9.5 tp -58.37 -24.59 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.78 -29.35 16.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -80.77 -59.67 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 57.8 m-85 -82.18 -21.95 36.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.92 -125.17 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 46.8 mtt180 -97.86 2.68 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -58.92 105.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.487 ' CD2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m95 -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.8 p -50.96 -39.28 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 49.4 mttt -76.54 -60.92 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -42.14 -51.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -50.88 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -58.83 -37.29 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.92 -59.92 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.428 HG21 ' HG3' ' A' ' 16' ' ' GLU . 59.2 mt -60.41 -47.7 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.37 -39.05 2.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 38' ' ' ILE . 40.4 t -65.28 -46.65 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.432 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 29.8 mmt180 -90.7 160.97 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' VAL . 63.4 p -116.2 152.23 34.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' THR . 96.9 t -34.02 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -68.66 -67.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -44.97 -35.5 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.92 -59.34 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -38.26 -41.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -71.47 -56.72 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.3 t80 -48.12 -42.33 28.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 52' ' ' GLN . 3.7 ptt85 -77.39 -35.68 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.2 tt0 -65.22 -27.53 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -67.59 -58.2 5.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 5.9 m95 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.9 p -80.64 159.67 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.6 mp -52.81 -53.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.54 -58.36 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.521 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 54.9 mm-40 -46.7 -51.16 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -51.67 -42.45 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -73.16 -61.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -47.58 -56.31 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.4 t80 -41.81 -47.05 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.8 mt-10 -66.53 -55.82 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' GLU . 6.6 tt0 -37.81 -57.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.51 -34.99 67.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 34' ' ' ILE . 12.7 tp -52.21 -22.09 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.74 -66.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 27' ' ' PHE . 2.5 ptpp? -53.37 -28.32 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CE2' ' HD2' ' A' ' 26' ' ' LYS . 60.2 m-85 -104.26 -29.98 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 94.84 -141.24 15.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -88.1 30.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -91.81 108.21 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.503 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.3 m95 -71.07 -43.4 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.5 ' HA ' HG22 ' A' ' 43' ' ' VAL . 74.3 p -57.66 -39.77 77.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -68.47 -48.64 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.571 HD11 HD12 ' A' ' 24' ' ' LEU . 47.6 mt -60.96 -58.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ILE . 90.8 p -34.8 -42.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -64.46 -54.08 38.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -40.86 -56.73 2.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.488 HG21 ' OE1' ' A' ' 16' ' ' GLU . 31.3 mt -66.91 -46.19 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.43 -43.3 2.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -61.74 -48.19 81.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' CG ' ' OE1' ' A' ' 16' ' ' GLU . 2.9 mmp_? -83.08 -177.74 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' VAL . 71.6 p -136.87 152.54 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 32' ' ' THR . 95.3 t -33.99 -48.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.28 -71.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -39.53 -44.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 47' ' ' LYS . 93.2 t -63.05 -62.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' VAL . 48.2 mtpt -34.38 -45.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -51.0 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.8 t80 -60.58 -41.45 94.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -42.32 -43.06 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 3.2 ptt180 -86.02 -31.72 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 3.0 tt0 -64.37 -30.74 71.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.4 -52.63 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CZ2' ' HG2' ' A' ' 41' ' ' ARG . 6.9 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.855 0.36 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 p -133.75 151.01 51.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.4 mp -43.72 -49.34 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -40.32 -44.79 2.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -80.74 -58.92 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' GLU . 38.3 mtpt -35.67 -41.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.63 -60.29 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' PHE . 75.2 mt -54.94 -60.23 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' LEU . 8.2 t80 -36.31 -57.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -56.95 -57.77 11.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -39.89 -57.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.48 91.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.439 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.87 -38.21 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.67 -39.27 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -71.28 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 39.9 m-85 -74.69 -27.49 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.95 -142.24 15.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -89.48 30.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -89.31 117.25 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -82.3 -35.64 27.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -37.93 87.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 15.6 mmmt -76.05 -49.11 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.454 HG22 HD11 ' A' ' 38' ' ' ILE . 70.9 mt -58.25 -53.36 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 43' ' ' VAL . 25.0 t -41.33 -52.01 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -57.16 -46.11 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -59.9 -43.1 95.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.454 HD11 HG22 ' A' ' 34' ' ' ILE . 44.1 mt -67.2 -38.04 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.25 -65.05 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -59.42 -58.49 8.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.653 HH21 ' NE2' ' A' ' 45' ' ' GLN . 2.0 tpm_? -71.28 138.42 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -98.32 152.19 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' THR . 98.7 t -33.81 -43.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.05 -62.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.653 ' NE2' HH21 ' A' ' 41' ' ' ARG . 19.8 mt-30 -49.01 -41.69 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.63 -51.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -43.26 -52.7 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.32 -64.01 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 52' ' ' GLN . 42.6 t80 -38.49 -45.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -53.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -74.27 -26.31 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' TYR . 14.0 tm0? -68.48 -33.09 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -63.77 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 m95 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.832 0.348 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -114.94 149.09 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mm -39.91 -49.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -49.67 -55.14 14.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -52.29 -47.76 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -57.27 -46.43 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.7 mt -58.25 -46.45 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.525 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 45.8 t80 -52.67 -44.33 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -64.14 -57.58 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 5.5 tt0 -35.37 -56.77 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.41 55.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 10.5 tp -43.2 -39.68 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.74 -39.97 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.71 -63.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -71.0 -29.94 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 100.81 -102.58 2.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -119.49 31.7 6.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' HD12 ' A' ' 34' ' ' ILE . 56.0 mtt-85 -93.52 116.97 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -82.2 -40.45 21.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.644 ' HA ' HG22 ' A' ' 43' ' ' VAL . 63.5 m -55.53 -41.42 73.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 33.4 mmtt -70.73 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 30' ' ' ARG . 46.1 mt -40.75 -44.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.9 m -55.94 -38.35 70.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.24 -41.56 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.75 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 40' ' ' SER . 74.2 mt -61.86 -55.3 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -39.46 3.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.411 ' H ' HG22 ' A' ' 38' ' ' ILE . 72.6 m -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.3 mmp_? -92.13 173.09 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 p -121.92 159.39 26.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 32' ' ' THR . 42.3 t -41.87 -37.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -64.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.426 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 40.4 mm-40 -47.84 -45.52 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.26 -44.23 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 31.7 mtpt -55.38 -54.25 46.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -63.98 -52.51 59.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 t80 -47.48 -49.67 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.2 -36.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -80.71 -40.79 24.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.9 tt0 -60.42 -39.99 89.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -52.72 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.5 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.828 0.347 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -118.33 150.07 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -42.72 -58.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -43.82 -40.03 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -75.07 -44.4 47.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -58.09 -39.54 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 5.9 pt-20 -69.26 -35.45 76.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 25.6 mt -72.51 -46.59 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.8 t80 -51.46 -48.99 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.5 -54.42 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.51 -56.43 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.41 -27.78 69.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 20' ' ' PHE . 11.7 tp -64.12 -34.94 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.22 -35.57 21.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.54 -61.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -77.13 -28.65 54.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.99 -133.39 11.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -96.64 27.26 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.09 110.19 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 6.5 m95 -80.3 -31.98 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.459 ' HA ' HG22 ' A' ' 43' ' ' VAL . 7.1 p -68.22 -25.06 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -86.02 -49.66 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.55 -43.38 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 t -52.34 -47.97 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -65.39 -43.06 91.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.71 -56.47 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.9 mt -67.5 -49.99 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.92 -41.1 2.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.7 t -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -99.04 172.09 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.6 p -121.41 156.6 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 32' ' ' THR . 78.9 t -38.93 -43.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.48 -65.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -44.37 -50.04 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.48 -52.15 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 24.0 mtpp -44.32 -52.88 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' TYR . 8.2 t -63.08 -68.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' GLN . 24.7 t80 -35.17 -47.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.64 -48.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.57 -32.95 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 tm0? -66.75 -28.56 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -75.95 -54.98 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.9 m0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.1 p -117.9 150.42 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.69 -55.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -44.69 -61.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -53.66 40.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -43.58 -40.27 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.11 -60.32 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.7 mt -48.84 -52.92 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 4.0 t80 -45.05 -50.38 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' LEU . 13.3 mt-10 -59.82 -55.67 31.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -38.1 -58.77 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.37 -18.44 75.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 10.6 tp -70.21 -17.37 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -54.29 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -64.48 -44.07 92.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -91.27 -25.2 19.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -132.72 11.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -92.17 21.12 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -76.81 113.61 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 9.6 m95 -79.79 -45.79 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.693 ' HA ' HG22 ' A' ' 43' ' ' VAL . 73.7 p -53.25 -45.69 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -63.97 -63.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 89.7 mt -43.08 -59.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ILE . 34.6 m -34.54 -53.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -47.44 -44.18 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' ILE . 7.9 tp -56.09 -70.55 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -49.58 -48.24 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.84 -42.64 2.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -63.96 -45.08 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -85.57 172.52 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' VAL . 66.7 p -130.16 152.93 49.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 32' ' ' THR . 89.1 t -34.0 -45.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.36 -66.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -45.18 -52.66 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.06 -43.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 58.5 mttt -56.3 -38.82 71.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.0 p -75.44 -50.21 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.2 t80 -56.34 -51.25 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -34.0 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 mtp-105 -85.9 -49.12 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -50.22 -39.83 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -57.56 -60.98 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 55.0 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.9 m95 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -109.86 153.75 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -43.96 -54.89 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -43.88 -61.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -52.43 -60.27 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -39.9 -48.17 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.49 -48.26 69.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.99 -52.45 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 12.7 t80 -48.37 -49.03 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -40.61 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.1 -49.61 76.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.16 -28.59 61.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.6 tp -61.45 -33.26 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.37 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -73.42 -62.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -77.95 -28.86 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.68 -143.03 15.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -86.83 29.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -90.98 114.69 27.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.7 m95 -79.56 -41.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -57.22 -34.24 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -77.15 -53.38 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.82 -50.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t -42.47 -45.6 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.2 tp -50.12 -45.39 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.7 mt -76.44 -53.09 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.31 2.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -65.43 -41.56 93.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 1.8 mmp_? -97.3 169.97 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.6 p -116.85 156.2 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.476 ' CG1' ' HE2' ' A' ' 47' ' ' LYS . 76.0 t -38.11 -41.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.37 -69.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 41.9 mm-40 -40.8 -40.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' TYR . 99.5 t -67.5 -58.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HE2' ' CG1' ' A' ' 43' ' ' VAL . 34.2 mttm -42.47 -35.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -80.15 -29.42 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.3 t80 -76.62 -53.16 8.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.99 -44.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -80.73 -34.41 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm0? -60.65 -46.06 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -49.76 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.534 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 20.3 m95 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.796 0.331 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' ILE . 46.5 p -142.49 149.07 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' THR . 35.7 mt -35.6 -55.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -43.02 -55.25 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.04 -57.45 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -39.1 -40.82 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.06 -59.66 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.8 mt -49.92 -44.01 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -52.02 -46.78 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' GLN . 3.6 mm-40 -67.32 -54.66 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . 2.1 tt0 -36.89 -52.83 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.59 -31.32 60.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -56.59 -23.47 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.65 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HE2' ' CZ ' ' A' ' 27' ' ' PHE . 19.2 ptmt -58.58 -47.95 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 37.8 m-85 -82.94 -29.13 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.15 -135.28 12.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -90.44 12.6 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mmt-85 -71.32 115.42 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 13.8 m95 -82.78 -39.02 22.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.9 p -54.68 -41.01 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.46 -60.19 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -46.66 -51.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.413 ' HA ' HG21 ' A' ' 46' ' ' VAL . 14.0 t -46.64 -43.34 17.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -67.4 -46.03 74.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.24 -55.95 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.35 -42.67 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.4 -59.1 4.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -50.35 -42.98 53.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 8.3 mmt-85 -83.53 179.3 7.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.2 p -134.77 155.96 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -38.0 -44.57 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -64.42 -69.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -41.39 -47.0 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 35' ' ' SER . 87.0 t -62.51 -48.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 9.4 mtpm? -51.99 -39.77 59.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.3 t -71.18 -60.56 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 t80 -41.71 -44.17 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.14 -45.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -72.28 -33.53 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tt0 -65.2 -35.34 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.15 -60.54 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 14.6 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.895 0.379 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 p -95.4 145.53 25.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -44.24 -55.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.72 -56.2 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 38' ' ' ILE . 6.5 mm-40 -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -40.27 -44.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.9 -50.77 72.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -58.68 -44.43 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.735 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 34.5 t80 -52.76 -56.26 16.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' GLN . 11.6 mt-10 -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -35.59 -57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.05 -45.58 55.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 9.3 tp -45.93 -21.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 -37.83 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -79.99 -57.3 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -79.07 -23.55 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.6 -113.25 4.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -110.28 14.85 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.58 111.44 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 7.8 m95 -77.92 -40.2 40.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.8 p -59.16 -28.12 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.64 -57.73 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mt -52.38 -53.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -38.23 -52.41 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.18 -42.54 91.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -49.47 -41.87 41.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.424 HG23 ' OE1' ' A' ' 16' ' ' GLU . 79.4 mt -83.3 -54.42 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.59 -45.23 3.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -59.89 -37.95 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . 6.4 mmp_? -102.06 155.45 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -92.32 171.47 9.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.25 -36.24 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -58.64 -49.27 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -41.79 99.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.26 -25.2 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.533 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 80.9 mttt -78.72 -37.54 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 t -85.36 -18.87 32.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -80.89 -46.25 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -41.53 -41.18 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.4 -35.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.41 -45.33 91.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.77 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.987 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 49' ' ' TYR . 8.9 m0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.2 p -132.69 148.59 52.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.9 mp -37.97 -46.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -49.9 -58.0 6.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 24.0 mt-10 -62.17 -52.39 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -46.85 -40.89 14.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.18 -48.11 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.39 -59.87 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -39.88 -48.56 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.84 -56.61 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -38.14 -60.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.27 73.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.638 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 11.9 tp -55.29 -19.99 10.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.94 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 pttt -57.23 -27.92 62.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 26' ' ' LYS . 45.5 m-85 -105.52 -29.62 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 97.34 -141.34 15.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.04 28.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 115.03 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 8.5 m95 -78.6 -38.6 39.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.469 ' HA ' HG22 ' A' ' 43' ' ' VAL . 21.9 m -60.08 -39.33 85.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -69.6 -49.85 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 37' ' ' LEU . 58.7 mt -60.53 -52.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' ILE . 51.6 p -37.73 -45.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -65.14 -40.44 94.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 tp -54.77 -64.29 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.18 -42.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.01 -43.55 3.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -73.03 -43.08 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.682 ' HB3' HG23 ' A' ' 46' ' ' VAL . 4.5 mpt_? -74.73 -178.43 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' LEU . 71.4 p -148.89 151.88 35.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 32' ' ' THR . 85.2 t -33.39 -34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' THR . 41.8 mt -76.07 -60.92 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.59 -50.52 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.682 HG23 ' HB3' ' A' ' 41' ' ' ARG . 74.3 t -58.24 -27.22 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -75.74 -42.24 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -73.9 -21.76 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.799 ' CE2' ' CE3' ' A' ' 12' ' ' TRP . 1.7 t80 -84.08 -51.22 7.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.23 -40.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -81.08 -37.35 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.2 tt0 -63.0 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -131.24 154.47 48.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.903 0.383 . . . . 0.0 110.847 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 m -145.88 129.16 16.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.846 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.27 134.03 6.3 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.455 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -102.4 109.92 21.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -80.34 46.73 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.39 -88.47 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -154.15 157.21 38.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.865 0.364 . . . . 0.0 110.92 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.9 m -75.66 113.37 13.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 10' ' ' VAL . 5.8 p -108.49 118.39 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.7 mmtp -131.84 157.31 44.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -106.52 171.24 7.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -125.43 151.5 46.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 79.2 mt -40.98 -53.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -49.68 -42.95 46.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -70.67 -43.83 68.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.858 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 mtpt -59.45 -42.87 92.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 8.9 pt-20 -67.24 -39.67 86.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 63.5 mt -66.71 -48.58 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.08 -48.62 53.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -61.24 -57.31 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -38.4 -59.58 0.88 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.27 -37.54 92.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 12.1 tp -53.01 -44.1 67.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.865 0.364 . . . . 0.0 110.941 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.38 -45.38 22.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.1 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -64.88 -65.44 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 67.1 m-85 -72.7 -29.61 63.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 105.02 -144.95 15.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.486 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -86.5 31.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.861 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 90.2 mtt-85 -90.29 114.59 26.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -81.94 -43.38 18.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.3 p -50.66 -41.15 55.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 51.3 mttm -72.7 -59.34 2.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 56.8 mt -46.34 -62.72 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -38.64 -44.09 0.95 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 50.7 mmtt -64.94 -51.85 59.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.1 tp -44.66 -59.86 2.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.08 -44.93 96.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.66 -44.18 2.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 t -62.31 -51.01 69.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 110.883 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.53 177.15 9.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 67.9 p -130.91 153.62 48.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.7 t -34.25 -44.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 54.9 mt -61.55 -70.46 0.19 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -40.3 -46.62 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.7 t -62.05 -51.57 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -45.56 -55.35 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -62.31 -62.98 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.46 ' O ' ' N ' ' A' ' 52' ' ' GLN . 28.7 t80 -39.22 -45.67 1.39 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.942 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.83 -48.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.071 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.7 ptp85 -80.54 -27.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.0 tt0 -66.23 -36.66 83.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.437 ' CE2' ' HD2' ' A' ' 57' ' ' LYS . 22.8 t80 -60.63 -59.13 5.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -53.37 -51.44 62.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.855 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -39.18 -41.69 0.88 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' LYS . 22.2 t-20 -76.3 -49.38 17.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' ASN . 22.4 mtpp -34.91 -50.26 0.47 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 58' ' ' VAL . 7.6 p -105.95 123.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -41.4 148.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 26.4 p -38.71 129.84 1.45 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -136.67 -89.2 0.25 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.532 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.8 mp -48.86 -41.29 32.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -53.83 -42.01 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm 59.89 41.77 17.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -121.58 129.93 53.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.7 146.07 35.24 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.579 0.704 . . . . 0.0 111.186 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 2.88 3.14 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -68.92 167.86 14.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.7 pm0 -166.56 178.25 6.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -60.29 113.9 2.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.6 p -75.72 150.47 37.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.111 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.46 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -65.19 145.39 56.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.874 0.368 . . . . 0.0 110.858 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 p -61.84 161.29 10.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.19 -120.61 0.96 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -89.3 -57.22 2.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -58.52 114.45 2.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.51 -168.44 41.49 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.524 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -132.59 103.97 6.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 110.926 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -163.92 128.17 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 1.8 p -116.69 116.83 53.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -146.66 132.91 19.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.476 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 12.5 m95 -105.93 173.6 6.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 14' ' ' ILE . 47.2 p -130.53 140.8 50.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.761 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.3 mp -36.52 -55.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -42.67 -55.07 3.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' CZ ' ' A' ' 41' ' ' ARG . 50.2 mt-10 -64.7 -53.56 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -40.34 -39.36 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -68.6 -56.74 7.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.1 mt -47.46 -54.88 10.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.598 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 5.3 t80 -39.62 -59.58 1.1 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 22' ' ' GLN . 8.2 mt-10 -47.55 -58.14 4.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -37.37 -61.14 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.49 92.0 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.598 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.9 tp -59.44 -40.0 85.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.63 21.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.8 tttm -70.4 -61.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -76.01 -27.21 57.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 102.58 -142.87 15.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.441 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HD2' ' CH2' ' A' ' 31' ' ' TRP . 7.3 mmm-85 -85.03 32.35 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.802 0.334 . . . . 0.0 110.886 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.412 ' O ' HD12 ' A' ' 34' ' ' ILE . 18.5 mmm180 -90.34 117.3 28.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.443 ' CH2' ' HD2' ' A' ' 29' ' ' ARG . 11.6 m95 -83.72 -41.28 17.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.636 ' HA ' HG22 ' A' ' 43' ' ' VAL . 22.5 m -58.49 -42.17 86.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.145 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -68.81 -56.66 7.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.589 HD11 ' HA ' ' A' ' 24' ' ' LEU . 68.5 mt -51.81 -56.35 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 60.4 p -38.27 -43.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -64.8 -49.48 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 tp -45.83 -43.03 13.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 89.3 mt -81.42 -43.11 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.24 -47.55 2.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 m -57.35 -47.23 82.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.885 0.374 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' CZ ' ' OE1' ' A' ' 16' ' ' GLU . 4.9 mmt-85 -85.39 179.09 7.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 80.3 p -131.81 153.18 50.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 32' ' ' THR . 93.2 t -38.31 -42.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -65.09 -63.83 1.01 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -47.04 -47.16 22.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 47' ' ' LYS . 79.9 t -61.98 -56.37 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 46' ' ' VAL . 7.4 mtpm? -34.5 -60.97 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.1 t -60.91 -53.64 54.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.838 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.476 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 1.7 t80 -42.85 -53.76 4.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.26 -34.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -83.1 -37.56 23.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.4 tt0 -61.22 -42.2 98.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.518 ' CZ ' ' HD3' ' A' ' 57' ' ' LYS . 23.7 t80 -52.57 -61.63 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -46.24 -41.41 12.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -64.04 -31.12 72.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -84.29 -24.82 29.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 53' ' ' TYR . 19.9 mmmt -46.49 173.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.63 HG22 ' O ' ' A' ' 58' ' ' VAL . 13.3 p 39.77 27.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.12 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -41.21 162.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.7 m 49.07 44.85 23.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.62 -95.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 71.7 mt -83.1 42.61 0.82 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.847 0.356 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 t70 56.78 40.72 28.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -85.22 -58.71 2.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -91.67 175.9 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.5 t -128.08 144.19 50.7 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.591 0.71 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 68' ' ' ASN . 53.4 Cg_endo -69.8 -21.1 33.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.703 2.268 . . . . 0.0 112.361 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 67' ' ' PRO . 17.1 p30 36.11 40.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 70' ' ' LYS . 5.5 tp60 -116.8 156.26 27.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.448 ' N ' ' HG3' ' A' ' 69' ' ' GLN . 2.6 tppp? -160.55 134.98 7.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.5 m -54.73 99.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.127 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.504 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -157.26 173.43 16.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.861 0.362 . . . . 0.0 110.89 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.0 t -106.26 94.26 5.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.61 115.53 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -153.08 127.6 9.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.361 . . . . 0.0 110.895 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.5 p -102.16 131.0 48.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.43 125.32 0.82 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -67.3 93.59 0.33 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.939 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 t -79.4 92.49 5.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -104.4 110.68 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.158 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -102.91 139.64 38.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 m95 -87.85 142.02 28.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.9 p -96.97 158.76 15.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.8 mp -55.51 -51.02 62.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -53.96 -19.39 4.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.437 ' OE1' HG21 ' A' ' 38' ' ' ILE . 28.2 mm-40 -94.05 -47.63 6.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.3 mttm -56.28 -29.56 61.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.45 -37.78 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 mt -70.88 -39.85 72.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -55.91 -56.76 16.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -55.05 -51.43 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -40.68 -56.02 2.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.44 -32.61 68.0 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.526 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.41 -38.15 76.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -80.56 -40.53 25.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.48 -64.37 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.95 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.565 ' CD2' ' HB3' ' A' ' 33' ' ' LYS . 20.4 m-85 -71.65 -28.52 63.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.77 -129.82 10.02 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -96.84 19.36 12.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.511 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -78.92 107.6 11.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.427 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.0 m95 -72.5 -31.44 65.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.0 p -67.34 -51.32 53.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.119 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.565 ' HB3' ' CD2' ' A' ' 27' ' ' PHE . 8.5 mptt -56.46 -47.24 79.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.511 HD12 ' O ' ' A' ' 30' ' ' ARG . 19.8 mt -63.76 -60.19 3.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.7 p -39.5 -43.79 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.9 mtpp -67.45 -46.06 74.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.7 tp -52.26 -43.01 64.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.437 HG21 ' OE1' ' A' ' 16' ' ' GLU . 51.0 mt -76.73 -48.4 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.13 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.56 -40.43 2.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.7 m -63.19 -50.63 69.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.853 0.358 . . . . 0.0 110.859 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -87.03 173.59 9.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.6 p -124.0 151.95 43.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 42' ' ' THR . 95.4 t -35.68 -44.34 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 48.7 mt -62.89 -63.7 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -45.66 -44.96 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.4 t -66.06 -52.32 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 47.2 mttt -43.36 -47.18 6.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.894 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.5 t -71.2 -60.78 2.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.473 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.2 t80 -40.75 -50.46 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.928 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -35.5 -41.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.052 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.8 mtp180 -76.47 -41.73 46.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.6 tt0 -59.1 -45.3 91.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -50.96 -57.65 8.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -68.47 -32.04 71.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -45.81 -45.72 15.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.402 ' O ' ' C ' ' A' ' 57' ' ' LYS . 10.0 t-20 -69.58 -48.96 58.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 6.8 mptt -37.8 -64.51 0.39 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.5 t -125.75 99.36 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -53.42 168.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 47.6 t -91.91 97.93 11.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.489 ' C ' HD22 ' A' ' 62' ' ' LEU . . . -151.28 -87.77 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.491 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.489 HD22 ' C ' ' A' ' 61' ' ' GLY . 3.2 mm? -109.78 90.57 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -124.36 147.18 48.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -104.65 82.38 1.89 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -175.02 134.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.57 147.43 33.15 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.547 0.689 . . . . 0.0 111.156 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -22.82 31.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.322 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -118.38 -175.08 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 pm0 -101.76 -17.53 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 161.06 21.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.3 t -69.14 148.12 50.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.7 p -53.22 95.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.853 0.359 . . . . 0.0 110.865 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.1 p -86.23 111.12 20.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.14 60.2 0.29 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.5 m -89.48 42.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 0.0 110.798 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.0 p -65.14 113.19 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.49 132.91 1.6 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.513 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -87.95 162.7 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.939 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -163.06 134.72 5.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 10' ' ' VAL . 40.4 t -93.72 49.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.108 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 12' ' ' TRP . 0.0 OUTLIER -122.92 148.91 44.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.45 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.2 m0 -119.11 155.53 31.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.7 p -103.85 145.55 29.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.2 mp -46.89 -43.98 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -53.04 -39.56 63.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 17' ' ' LYS . 33.6 mt-10 -77.97 -55.16 5.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLU . 50.1 mttt -37.9 -44.83 0.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.42 -52.14 66.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.5 mt -56.35 -52.52 64.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 8.1 t80 -39.55 -57.91 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.37 -48.48 80.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -44.88 -54.32 6.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -71.84 -28.62 68.55 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.611 ' HA ' HD11 ' A' ' 34' ' ' ILE . 6.3 tp -65.42 -31.56 72.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.02 -36.2 17.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -73.07 -63.77 1.11 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -77.02 -26.49 53.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.66 -139.07 14.35 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.441 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.1 mmt-85 -90.04 31.38 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.828 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -92.07 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -79.95 -40.85 27.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.549 ' HA ' HG22 ' A' ' 43' ' ' VAL . 76.0 p -57.18 -34.75 68.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.158 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.4 mttp -77.57 -60.18 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.611 HD11 ' HA ' ' A' ' 24' ' ' LEU . 77.9 mt -48.13 -54.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.6 t -38.92 -51.17 1.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -56.85 -45.13 82.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.5 tp -49.62 -58.61 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.61 -50.56 79.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.112 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.16 -45.67 3.38 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.0 t -61.88 -45.58 93.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.865 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -92.32 174.27 7.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 64.3 p -123.55 160.0 27.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.549 HG22 ' HA ' ' A' ' 32' ' ' THR . 50.4 t -39.53 -44.32 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.128 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.06 -70.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.86 -50.16 1.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 47' ' ' LYS . 69.6 t -58.24 -56.62 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 23.1 mttm -37.0 -59.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 49' ' ' TYR . 49.0 m -59.57 -67.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.465 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.7 t80 -34.81 -45.31 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 47' ' ' LYS . . . -38.1 -51.55 1.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.0 ptp85 -75.81 -25.94 56.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.2 tm0? -68.79 -36.83 78.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' LYS . 22.3 t80 -63.8 -66.7 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.445 ' HA ' ' CD ' ' A' ' 57' ' ' LYS . 53.8 m-85 -36.58 -29.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' TYR . 12.5 ttpt -78.59 -49.62 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 53' ' ' TYR . 4.0 m-20 -66.35 -18.58 65.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 58' ' ' VAL . 40.5 mtpt -51.63 -175.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' C ' ' O ' ' A' ' 57' ' ' LYS . 1.3 p -33.97 109.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 58' ' ' VAL . 7.3 ptmm? -34.91 138.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.9 p -87.58 178.95 6.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -138.99 -42.24 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.0 mt -124.94 95.96 4.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -75.68 -44.11 43.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -146.18 150.73 36.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -55.25 154.49 5.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 45.5 p -138.26 144.35 42.76 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.612 0.72 . . . . 0.0 111.127 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -178.76 2.5 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.704 2.27 . . . . 0.0 112.348 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -64.03 170.74 3.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -80.02 78.22 6.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -52.36 152.96 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 71' ' ' THR . 5.7 m 69.81 41.52 1.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 t 58.88 53.53 5.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.2 t -126.94 135.64 51.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.53 -111.17 0.26 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 m -58.99 -45.32 90.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.865 0.364 . . . . 0.0 110.873 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -101.29 42.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -45.88 109.39 0.33 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -98.14 148.0 24.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.886 0.374 . . . . 0.0 110.941 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.2 p -96.97 118.58 33.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.7 p -110.15 119.41 59.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.156 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.27 131.29 10.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.408 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 9.3 m95 -82.61 153.92 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.4 p -107.66 137.21 46.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.11 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 13' ' ' THR . 38.6 mm -34.38 -48.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.129 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -48.13 -51.99 22.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.11 -62.16 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -38.68 -45.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -58.6 -53.26 60.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.1 mt -58.66 -48.51 80.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.482 ' CE2' HD22 ' A' ' 24' ' ' LEU . 7.5 t80 -47.11 -51.06 18.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' GLN . 10.0 mt-10 -56.82 -56.98 14.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' GLU . 3.0 tt0 -36.77 -61.29 0.55 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.57 -36.5 91.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.482 HD22 ' CE2' ' A' ' 20' ' ' PHE . 13.7 tp -54.28 -39.18 66.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.833 0.349 . . . . 0.0 110.934 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -81.47 -41.78 21.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.07 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.7 tttm -67.53 -64.01 0.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -75.23 -29.51 60.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.421 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 106.12 -139.67 14.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 mtt85 -86.7 29.57 0.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 110.843 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' O ' HD12 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -87.62 116.98 26.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.447 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 8.0 m95 -81.1 -41.81 21.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.2 m -57.06 -45.23 83.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.104 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -64.75 -52.31 57.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.463 HD12 ' O ' ' A' ' 30' ' ' ARG . 47.6 mt -57.39 -58.2 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.3 p -41.96 -45.59 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -62.67 -53.25 57.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.1 tp -45.9 -52.69 11.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.4 mt -64.83 -47.31 88.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.74 -45.75 3.19 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -62.16 -52.77 62.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 49.1 mmt-85 -77.71 172.75 12.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -125.92 149.88 48.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 42' ' ' THR . 94.8 t -36.16 -45.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.52 -62.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -47.74 -42.82 26.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.964 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -64.74 -53.72 38.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 37.1 mtmt -41.51 -60.36 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 t -58.64 -58.59 7.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 4.2 t80 -41.03 -50.0 3.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.967 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -39.38 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.125 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -76.81 -41.06 45.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' TYR . 1.9 tt0 -55.55 -45.55 77.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -57.72 -47.77 81.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -64.91 -51.23 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -52.4 -36.21 53.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' LYS . 10.9 m-20 -68.52 -50.58 51.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' ASN . 34.1 mttm -34.26 -50.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 58' ' ' VAL . 9.9 p -108.55 127.18 65.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.12 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.16 148.77 23.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 55.7 m -89.89 -49.63 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.91 -41.15 1.4 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.767 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -72.13 -31.77 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 0.0 110.876 -179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 63' ' ' ASP . 2.4 t0 -88.69 96.59 10.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.06 166.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -139.04 136.21 35.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.1 t -142.07 144.3 31.35 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.523 0.678 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 103.15 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.69 2.26 . . . . 0.0 112.323 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -52.86 156.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -142.63 155.88 45.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -60.11 109.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 42.6 m -102.05 125.98 48.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 p -77.83 95.86 4.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.911 0.386 . . . . 0.0 110.882 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -124.77 129.22 50.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.45 -66.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.499 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -161.14 151.36 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.376 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.5 p -46.84 119.07 2.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.9 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.15 -120.48 2.73 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.465 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -149.08 162.96 38.9 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.904 0.383 . . . . 0.0 110.909 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 t -147.68 116.29 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.832 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 t -93.54 54.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -107.41 133.38 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.916 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -116.12 163.03 16.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 14' ' ' ILE . 68.9 p -115.07 138.04 51.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.541 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.1 mp -33.98 -59.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.09 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 14' ' ' ILE . 10.3 tp10 -35.94 -47.85 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.58 -54.83 6.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -41.23 -40.96 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.46 -59.18 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.6 mt -52.95 -43.55 66.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -52.71 -44.76 66.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.8 -53.32 27.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -38.84 -55.81 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.3 -26.81 67.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.538 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HA ' HD11 ' A' ' 34' ' ' ILE . 12.1 tp -63.62 -35.29 80.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.825 0.345 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.46 -34.33 21.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.097 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 46.9 tttt -76.31 -60.0 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 47.6 m-85 -79.07 -28.13 43.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.7 -137.05 13.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -93.12 23.12 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -79.56 115.12 19.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -83.99 -36.35 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.93 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -58.66 -38.14 77.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.519 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 34.7 mttt -75.82 -62.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.433 HD11 ' HA ' ' A' ' 24' ' ' LEU . 75.1 mt -44.85 -47.74 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.8 t -42.19 -54.96 3.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -56.48 -55.7 30.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.3 tp -39.84 -57.39 1.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 55.0 mt -65.78 -49.04 80.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.33 -46.05 3.34 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.6 t -60.16 -55.49 33.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -75.66 177.87 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 43' ' ' VAL . 75.4 p -133.89 149.53 51.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 42' ' ' THR . 85.7 t -34.56 -43.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.8 mt -63.97 -61.94 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -50.76 -45.16 58.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.77 -50.57 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.111 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mtpp -47.26 -58.45 4.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.4 m -60.26 -59.09 5.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.472 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.0 t80 -41.83 -53.29 3.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.583 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -34.02 -36.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 49' ' ' TYR . 25.4 mtt180 -80.87 -44.75 17.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 49' ' ' TYR . 0.1 OUTLIER -54.09 -39.4 66.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -60.8 -63.14 1.4 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 52.8 m-85 -42.83 -44.32 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 ttmm -71.33 -40.71 70.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -68.61 -23.81 64.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' LYS . 5.0 mtmp? -50.43 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 58' ' ' VAL . 14.0 p 37.4 28.17 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.165 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -50.04 173.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 18.2 m -64.09 90.22 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -168.26 -53.87 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 7.0 mt 56.68 43.62 25.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.908 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -67.08 166.28 14.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -76.49 144.91 39.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -160.24 129.61 5.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.0 p -61.42 147.2 88.19 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.579 0.704 . . . . 0.0 111.178 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 121.02 7.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -41.55 117.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -142.57 162.96 34.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -76.6 157.7 31.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.7 m -126.0 -39.33 2.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.096 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.55 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -135.14 172.55 12.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.1 p -128.14 161.18 29.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.92 134.06 2.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.459 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.1 t -77.66 106.52 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.377 . . . . 0.0 110.858 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.4 t -45.53 163.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.54 133.73 2.61 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.0 t80 62.4 41.41 10.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.389 . . . . 0.0 110.911 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.9 m -96.54 110.29 22.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 10' ' ' VAL . 10.8 p -106.82 117.94 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -119.0 146.58 44.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.431 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 9.9 m0 -92.4 162.58 14.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.933 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.6 p -118.78 153.86 33.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.1 mp -41.48 -59.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ILE . 24.3 tt0 -37.27 -64.14 0.39 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -53.7 -54.65 34.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -44.49 -40.01 5.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 82.1 mt-10 -63.98 -49.09 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.97 -53.4 57.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.629 ' HE1' HD22 ' A' ' 24' ' ' LEU . 15.1 t80 -42.3 -56.16 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 2.2 mp0 -55.87 -59.9 4.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 40.2 mt-30 -36.48 -62.36 0.46 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.03 -29.11 73.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD22 ' HE1' ' A' ' 20' ' ' PHE . 11.2 tp -62.06 -38.05 87.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -83.45 -39.12 20.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -69.78 -63.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -77.5 -29.27 52.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 -142.81 15.63 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.2 mtt85 -86.7 29.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.883 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt85 -85.02 110.55 19.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -80.09 -39.98 28.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.401 ' HA ' HG22 ' A' ' 43' ' ' VAL . 64.0 p -55.38 -38.68 69.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -75.36 -59.52 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 69.8 mt -46.68 -58.56 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.5 p -40.64 -45.18 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -64.4 -46.71 82.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.77 -49.72 70.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.9 mt -65.15 -42.51 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.152 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.86 -62.3 3.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.8 t -56.05 -36.94 68.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.4 mmp_? -87.29 178.59 6.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.889 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -141.28 153.92 45.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.142 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' THR . 83.1 t -35.01 -44.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 mt -63.75 -66.49 0.54 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -44.17 -49.04 9.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.8 t -63.22 -54.11 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -39.69 -59.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 49' ' ' TYR . 12.0 t -61.36 -66.03 0.6 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' O ' ' N ' ' A' ' 52' ' ' GLN . 1.3 t80 -34.51 -48.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.53 -54.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.121 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -72.53 -27.53 62.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.492 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.8 tt0 -68.34 -35.34 77.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.15 -43.56 95.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -68.98 -34.01 74.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -56.8 -32.74 65.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 57' ' ' LYS . 8.7 t-20 -75.07 -50.0 17.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 56' ' ' ASN . 28.1 mttm -34.61 -59.33 0.47 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.8 p -129.08 146.59 34.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -74.12 86.95 1.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.45 153.15 52.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -166.71 85.26 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.58 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -103.65 76.44 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.903 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -99.59 93.21 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.8 tptt -106.6 86.43 2.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -142.47 106.48 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.6 t -126.32 144.06 48.01 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 0.0 111.184 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 138.63 38.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 36.5 t30 -126.0 89.42 3.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -168.4 127.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HD2' ' N ' ' A' ' 71' ' ' THR . 0.3 OUTLIER -137.21 145.04 43.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.475 ' N ' ' HD2' ' A' ' 70' ' ' LYS . 9.8 t -172.8 144.97 1.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 p -66.96 172.86 4.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -114.59 97.92 6.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.798 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.08 159.62 20.07 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -173.98 166.55 4.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 t -108.16 -44.73 4.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.41 -90.52 1.89 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.449 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -158.1 122.02 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.88 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.0 m -108.96 161.82 14.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.834 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.7 t -112.95 116.48 52.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.155 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -170.52 153.61 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.415 ' CD2' ' CD2' ' A' ' 49' ' ' TYR . 11.1 m95 -96.04 143.86 26.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.94 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 77.9 p -95.99 152.87 18.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.2 mm -45.26 -48.5 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -49.23 -53.89 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HG2' HG21 ' A' ' 38' ' ' ILE . 23.6 mt-10 -63.98 -51.06 66.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -46.38 -48.33 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -59.15 -58.24 9.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.839 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 mt -49.25 -53.23 22.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -39.81 -51.92 2.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 24' ' ' LEU . 2.6 mm-40 -63.44 -60.04 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 21' ' ' GLU . 59.4 mt-30 -35.22 -48.54 0.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.96 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -79.5 -30.62 44.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 21' ' ' GLU . 6.1 tp -65.2 -33.11 75.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.72 -52.45 15.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -55.36 12.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -71.64 -30.01 65.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.452 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 95.33 -106.59 3.42 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.476 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -117.56 29.64 7.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.794 0.33 . . . . 0.0 110.869 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.491 ' O ' HD12 ' A' ' 34' ' ' ILE . 97.6 mtt180 -91.22 112.18 23.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.571 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 11.2 m95 -79.45 -43.65 22.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 66.9 p -51.87 -42.15 62.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -71.45 -60.65 2.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 30' ' ' ARG . 43.1 mt -48.02 -56.53 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.115 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.8 t -41.03 -43.68 2.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.5 mmtm -62.77 -45.67 91.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.8 tp -50.03 -58.45 5.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.419 HG21 ' HG2' ' A' ' 16' ' ' GLU . 77.1 mt -65.71 -48.16 83.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.152 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.81 -43.79 2.67 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 t -60.43 -45.41 93.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -90.91 147.58 23.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 73.7 p -95.71 151.37 19.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.9 t -38.26 -42.55 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -64.38 -62.02 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -47.39 -43.18 23.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.2 t -67.2 -46.44 84.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.171 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.571 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 43.0 mttt -44.56 -45.46 9.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 49' ' ' TYR . 48.0 m -72.89 -67.53 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.3 t80 -36.42 -46.52 0.55 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -37.58 -48.06 0.98 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 1.9 ptp180 -79.48 -29.65 41.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 2.8 tt0 -65.13 -36.29 83.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 55' ' ' LYS . 24.3 t80 -62.15 -64.96 0.77 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' TYR . 61.4 m-85 -38.29 -27.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 53' ' ' TYR . 5.6 tttp -82.06 -54.35 5.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -59.02 -31.27 68.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HE2' ' CZ ' ' A' ' 53' ' ' TYR . 4.6 mtpm? -40.07 160.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.459 ' O ' HG12 ' A' ' 58' ' ' VAL . 12.5 t 60.81 46.22 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.115 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -64.45 127.1 30.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.6 m 61.53 43.16 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.1 -71.45 0.79 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.475 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.66 -59.31 1.76 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.788 0.328 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -56.3 115.42 2.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp -111.44 46.17 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -119.95 130.97 55.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.6 p -152.62 144.49 16.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.577 0.703 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 112.8 3.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.663 2.242 . . . . 0.0 112.39 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -98.79 118.83 36.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -128.04 168.24 15.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -116.91 134.74 54.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 72' ' ' GLY . 10.0 t -56.34 -42.76 78.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.447 ' N ' HG23 ' A' ' 71' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -106.34 126.61 52.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.834 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.8 m -111.12 99.18 8.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.819 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.21 70.28 1.04 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t 71.27 36.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.864 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -123.21 114.51 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.03 48.05 50.16 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -99.09 126.24 44.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.951 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p -118.11 128.36 54.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.9 p -114.46 118.68 59.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.128 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -153.67 141.06 19.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.453 ' CH2' ' CD2' ' A' ' 49' ' ' TYR . 11.3 m95 -76.75 137.41 39.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -92.19 149.89 21.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.7 mm -42.42 -47.88 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -50.29 -51.63 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -59.09 -57.17 14.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -44.46 -42.53 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mm-40 -63.68 -50.47 69.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.18 -55.82 29.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.74 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 4.6 t80 -45.48 -49.71 13.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.16 -52.89 63.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -38.56 -50.51 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.38 -46.62 14.78 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.74 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.9 tp -43.47 -32.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.822 0.344 . . . . 0.0 110.932 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.91 -36.55 21.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.114 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.6 ttmt -78.69 -64.16 1.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 24.6 m-85 -72.39 -29.08 63.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.56 -121.68 7.32 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -92.84 -22.02 19.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.778 0.323 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HA ' ' NE ' ' A' ' 30' ' ' ARG . 6.9 mmp_? -45.53 110.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.432 ' O ' ' C ' ' A' ' 32' ' ' THR . 21.2 m95 -76.65 -58.09 3.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 31' ' ' TRP . 37.4 p -35.3 -54.35 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.502 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 97.9 mttt -57.75 -55.3 36.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.936 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' SER . 64.2 mt -52.91 -59.31 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' ILE . 15.0 t -35.12 -49.96 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -55.76 -54.3 46.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.9 tp -42.59 -50.83 5.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.31 -55.84 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.67 -44.44 3.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.2 m -66.45 -41.87 88.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.876 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.474 ' CZ ' ' NE2' ' A' ' 45' ' ' GLN . 5.2 mmp_? -84.47 -175.39 5.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 76.8 p -137.55 150.86 47.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.09 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.3 t -38.7 -38.69 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 44.8 mt -69.5 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.474 ' NE2' ' CZ ' ' A' ' 41' ' ' ARG . 21.0 mt-30 -49.11 -40.39 31.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 47' ' ' LYS . 65.0 t -68.24 -57.41 9.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 50' ' ' ALA . 53.9 mttm -37.8 -61.0 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.902 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.4 m -57.74 -64.26 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.491 ' O ' ' N ' ' A' ' 52' ' ' GLN . 37.0 t80 -37.29 -46.53 0.75 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.05 -48.83 0.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.4 ptt85 -76.23 -32.28 58.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tm0? -61.7 -45.5 93.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.924 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -52.12 -55.95 17.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -67.12 -39.18 86.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.839 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -53.49 -40.99 65.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' A' ' 57' ' ' LYS . 66.9 t30 -67.41 -49.6 63.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 56' ' ' ASN . 35.0 mttm -35.2 -57.67 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 84.0 t -135.58 109.54 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' NZ ' ' HA ' ' A' ' 56' ' ' ASN . 6.9 mmpt? -56.44 169.77 0.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 70.8 m 39.17 48.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -92.65 -152.98 29.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.488 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 62' ' ' LEU . 4.4 pp -85.35 32.83 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.51 -59.14 3.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -128.38 122.99 32.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.61 156.38 39.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 48.7 p -137.67 151.29 70.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.557 0.694 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.31 18.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -91.52 139.68 30.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -38.57 144.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.2 mtpt -79.41 148.35 31.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 31.6 m -113.84 119.47 37.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.466 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -88.88 123.53 33.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.4 m -136.42 162.5 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.847 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.8 98.51 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -163.9 133.76 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.896 0.379 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 t -95.55 42.15 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.87 -50.36 1.22 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -149.97 120.39 7.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.876 0.369 . . . . 0.0 110.922 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.1 m -122.33 151.35 41.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 10' ' ' VAL . 9.2 m -94.36 110.77 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.154 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 30.2 tptt -144.06 143.62 31.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -106.17 177.6 4.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.22 142.1 46.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 70.3 mt -49.95 -31.67 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HG2' ' N ' ' A' ' 16' ' ' GLU . 2.6 pt-20 -65.38 -35.69 81.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' N ' ' HG2' ' A' ' 15' ' ' GLU . 74.4 mt-10 -85.22 -54.77 4.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.909 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -44.73 -44.09 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -58.44 -36.01 72.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.9 mt -74.66 -36.9 62.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.507 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 7.8 t80 -60.14 -46.81 88.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -66.54 -43.33 85.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -46.67 -56.28 6.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.14 -41.49 53.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.507 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 8.7 tp -45.56 -32.23 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 110.958 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.75 -34.8 39.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.089 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 27' ' ' PHE . 11.6 tmtt? -81.13 -63.29 1.43 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.404 ' N ' ' HD3' ' A' ' 26' ' ' LYS . 42.1 m-85 -72.19 -27.84 62.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.73 -103.99 2.6 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.506 ' O ' ' CE3' ' A' ' 31' ' ' TRP . 52.6 mtt-85 -115.14 -17.63 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.871 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -45.32 110.43 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.506 ' CE3' ' O ' ' A' ' 29' ' ' ARG . 11.6 m95 -76.97 -50.94 12.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 79.8 p -45.1 -38.41 5.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -74.08 -47.71 34.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.856 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 37' ' ' LEU . 59.4 mt -60.84 -60.56 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' ILE . 18.2 p -37.35 -37.62 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.4 ttmm -63.94 -45.39 89.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' A' ' 34' ' ' ILE . 14.7 tp -52.31 -50.86 61.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 40' ' ' SER . 71.4 mt -66.77 -55.86 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.15 -37.26 2.71 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 38' ' ' ILE . 3.9 t -66.04 -44.49 84.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -89.88 -178.3 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 43' ' ' VAL . 62.7 p -129.3 152.54 48.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.081 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.424 ' CG1' ' HE3' ' A' ' 47' ' ' LYS . 70.3 t -36.1 -43.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 85.4 mt -59.28 -59.99 4.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' N ' HE21 ' A' ' 45' ' ' GLN . 0.0 OUTLIER -53.47 -41.34 66.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 84.1 t -65.26 -29.21 46.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' HE3' ' CG1' ' A' ' 43' ' ' VAL . 74.3 mttt -77.11 -37.39 54.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 88.4 p -80.38 -17.64 51.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' O ' ' N ' ' A' ' 52' ' ' GLN . 6.0 t80 -84.66 -46.67 11.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.461 ' O ' ' CD2' ' A' ' 54' ' ' PHE . . . -39.85 -39.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.149 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.72 -36.67 37.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.7 tt0 -60.58 -43.8 96.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -55.9 -61.54 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 58.1 m-85 -48.92 -42.74 38.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.4 ttmt -60.19 -34.72 74.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -72.21 -1.83 16.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.927 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -118.94 -66.26 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG1' ' HA2' ' A' ' 61' ' ' GLY . 86.5 t -106.24 104.25 16.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.077 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 60' ' ' CYS . 39.7 mtpt -75.72 125.45 29.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.429 ' C ' ' O ' ' A' ' 59' ' ' LYS . 28.3 p 34.97 42.5 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.442 ' HA2' ' CG1' ' A' ' 58' ' ' VAL . . . 63.94 -146.24 50.24 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.633 HD23 ' H ' ' A' ' 62' ' ' LEU . 1.0 OUTLIER -110.68 41.34 1.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.79 0.329 . . . . 0.0 110.944 -179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -112.6 158.73 19.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -37.85 152.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -134.93 167.35 21.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.6 t -61.74 143.13 94.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.588 0.709 . . . . 0.0 111.142 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 177.85 5.12 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -87.95 107.75 18.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -45.46 110.55 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.915 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -119.73 88.09 2.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 36.1 p -75.86 -46.6 29.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -125.61 150.55 47.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.9 t -88.41 161.16 17.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.52 111.03 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.4 p -138.2 161.36 37.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 p -101.4 166.43 10.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.03 108.9 0.42 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 61.91 42.48 10.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.9 m -101.99 129.29 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 10' ' ' VAL . 21.2 t -97.87 51.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -75.53 155.13 36.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.432 ' CH2' ' HG3' ' A' ' 41' ' ' ARG . 7.9 m0 -79.03 147.09 32.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.931 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.0 p -90.36 153.66 20.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 39.2 mt -46.3 -50.34 4.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -50.75 -36.23 35.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' HG3' HG21 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -81.28 -34.89 31.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.914 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -71.44 -28.22 63.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -84.28 -43.29 14.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.09 -50.02 63.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.533 ' CE1' HD22 ' A' ' 24' ' ' LEU . 2.1 t80 -42.46 -51.94 4.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.65 -53.46 51.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -38.21 -57.65 1.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.21 -31.24 59.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.533 HD22 ' CE1' ' A' ' 20' ' ' PHE . 9.5 tp -58.37 -24.59 60.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.346 . . . . 0.0 110.964 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.78 -29.35 16.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.1 tttm -80.77 -59.67 2.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CD1' ' HD3' ' A' ' 33' ' ' LYS . 57.8 m-85 -82.18 -21.95 36.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.92 -125.17 8.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.487 ' O ' ' CD2' ' A' ' 31' ' ' TRP . 46.8 mtt180 -97.86 2.68 49.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 0.0 110.848 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -58.92 105.3 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.487 ' CD2' ' O ' ' A' ' 29' ' ' ARG . 8.0 m95 -75.79 -40.71 54.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.8 p -50.96 -39.28 54.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.124 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.545 ' HD3' ' CD1' ' A' ' 27' ' ' PHE . 49.4 mttt -76.54 -60.92 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -42.14 -51.72 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.123 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -52.52 -50.88 61.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -58.83 -37.29 76.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.7 tp -62.92 -59.92 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.428 HG21 ' HG3' ' A' ' 16' ' ' GLU . 59.2 mt -60.41 -47.7 91.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.37 -39.05 2.62 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.404 ' H ' HG22 ' A' ' 38' ' ' ILE . 40.4 t -65.28 -46.65 79.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.872 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.432 ' HG3' ' CH2' ' A' ' 12' ' ' TRP . 29.8 mmt180 -90.7 160.97 15.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 43' ' ' VAL . 63.4 p -116.2 152.23 34.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.138 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 42' ' ' THR . 96.9 t -34.02 -39.92 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 43.6 mt -68.66 -67.43 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -44.97 -35.5 2.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.92 -59.34 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -38.26 -41.12 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.4 t -71.47 -56.72 5.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.496 ' O ' ' N ' ' A' ' 52' ' ' GLN . 38.3 t80 -48.12 -42.33 28.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.943 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -37.68 -41.01 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.134 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 52' ' ' GLN . 3.7 ptt85 -77.39 -35.68 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.496 ' N ' ' O ' ' A' ' 49' ' ' TYR . 5.2 tt0 -65.22 -27.53 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.463 ' HA ' ' ND2' ' A' ' 56' ' ' ASN . 34.3 t80 -67.59 -58.2 5.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -55.3 -34.21 63.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -67.09 -64.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 57' ' ' LYS . 0.9 OUTLIER -49.99 -46.88 53.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 4.8 mtmp? -37.47 -62.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.0 95.68 4.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.164 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -117.24 165.32 13.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.6 p -124.27 147.44 48.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.61 -50.52 1.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.504 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.4 mt -128.66 93.24 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -85.78 142.42 28.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.905 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.05 105.59 15.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -77.18 178.25 7.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.49 144.65 51.87 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.632 0.729 . . . . 0.0 111.123 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 123.83 10.48 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 19.0 t30 -78.15 143.22 37.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -163.15 135.39 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.8 139.02 53.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.1 m -70.0 118.45 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -84.61 42.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 110.831 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -141.03 127.11 19.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.43 40.01 1.79 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.7 m -92.99 115.96 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.908 0.385 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 p -105.99 -51.99 2.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.45 -104.44 2.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.465 ' CG ' ' O ' ' A' ' 8' ' ' TYR . 8.4 p90 -61.81 121.53 13.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.367 . . . . 0.0 110.934 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -102.62 150.01 23.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 10' ' ' VAL . 33.1 m -90.36 110.06 21.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.187 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -126.56 143.16 51.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.521 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 5.9 m95 -111.9 139.17 47.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.9 p -80.64 159.67 25.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.6 mp -52.81 -53.73 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -46.54 -58.36 3.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.521 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 54.9 mm-40 -46.7 -51.16 16.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -51.67 -42.45 62.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -73.16 -61.6 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.3 mt -47.58 -56.31 7.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.4 t80 -41.81 -47.05 4.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 22' ' ' GLN . 18.8 mt-10 -66.53 -55.82 13.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 21' ' ' GLU . 6.6 tt0 -37.81 -57.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.51 -34.99 67.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD12 HD11 ' A' ' 34' ' ' ILE . 12.7 tp -52.21 -22.09 4.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.74 -66.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.574 ' HD2' ' CE2' ' A' ' 27' ' ' PHE . 2.5 ptpp? -53.37 -28.32 28.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.574 ' CE2' ' HD2' ' A' ' 26' ' ' LYS . 60.2 m-85 -104.26 -29.98 10.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 94.84 -141.24 15.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.537 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -88.1 30.49 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -91.81 108.21 19.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.503 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.3 m95 -71.07 -43.4 67.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.5 ' HA ' HG22 ' A' ' 43' ' ' VAL . 74.3 p -57.66 -39.77 77.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.132 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -68.47 -48.64 63.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.571 HD11 HD12 ' A' ' 24' ' ' LEU . 47.6 mt -60.96 -58.91 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' ILE . 90.8 p -34.8 -42.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -64.46 -54.08 38.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -40.86 -56.73 2.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.488 HG21 ' OE1' ' A' ' 16' ' ' GLU . 31.3 mt -66.91 -46.19 85.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.149 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.43 -43.3 2.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -61.74 -48.19 81.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' CG ' ' OE1' ' A' ' 16' ' ' GLU . 2.9 mmp_? -83.08 -177.74 6.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 43' ' ' VAL . 71.6 p -136.87 152.54 50.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 32' ' ' THR . 95.3 t -33.99 -48.55 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 38.0 mt -58.28 -71.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -39.53 -44.38 1.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.436 ' O ' ' C ' ' A' ' 47' ' ' LYS . 93.2 t -63.05 -62.73 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 46' ' ' VAL . 48.2 mtpt -34.38 -45.26 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 m -62.6 -51.0 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.407 ' N ' ' O ' ' A' ' 46' ' ' VAL . 47.8 t80 -60.58 -41.45 94.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -42.32 -43.06 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.065 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 52' ' ' GLN . 3.2 ptt180 -86.02 -31.72 21.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.465 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 3.0 tt0 -64.37 -30.74 71.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -69.4 -52.63 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.444 ' HA ' ' CG ' ' A' ' 57' ' ' LYS . 46.3 m-85 -57.94 -39.69 78.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.837 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -56.03 -37.79 69.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' LYS . 10.7 m-80 -77.42 -37.0 52.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' CG ' ' HA ' ' A' ' 54' ' ' PHE . 18.2 mmmt -36.38 154.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 58' ' ' VAL . 24.1 t 68.86 48.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.148 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -76.26 161.72 28.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 21.8 t -47.17 112.92 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.526 ' C ' HD22 ' A' ' 62' ' ' LEU . . . -163.51 -124.23 0.7 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.464 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD22 ' C ' ' A' ' 61' ' ' GLY . 3.8 mm? -114.92 -54.16 2.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -40.35 116.08 0.63 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 65' ' ' GLU . 1.2 tmmt? -142.27 143.96 33.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.457 ' N ' ' HD2' ' A' ' 64' ' ' LYS . 14.0 tm-20 -162.9 125.01 2.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.0 p -97.11 144.41 27.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.584 0.707 . . . . 0.0 111.152 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 159.52 53.14 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.684 2.256 . . . . 0.0 112.369 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -106.31 40.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -145.0 147.64 32.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' CD ' ' C ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -43.6 104.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 60.7 p -37.26 -51.47 1.04 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' C ' ' CD ' ' A' ' 70' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.0 p -135.1 137.98 43.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.8 p -78.09 152.11 33.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.52 132.21 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.9 m -80.37 -55.62 4.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.865 0.364 . . . . 0.0 110.833 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -101.41 99.11 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.835 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.58 82.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -104.62 163.67 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.943 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 p -126.03 153.93 43.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.617 ' O ' HG12 ' A' ' 10' ' ' VAL . 46.5 t -95.6 50.23 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 160.16 31.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.56 ' CZ2' ' HG2' ' A' ' 41' ' ' ARG . 6.9 m95 -133.52 175.03 9.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.4 p -133.75 151.01 51.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 14' ' ' ILE . 5.4 mp -43.72 -49.34 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -40.32 -44.79 2.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.496 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 0.2 OUTLIER -80.74 -58.92 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.893 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' GLU . 38.3 mtpt -35.67 -41.92 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -66.63 -60.29 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' PHE . 75.2 mt -54.94 -60.23 3.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' LEU . 8.2 t80 -36.31 -57.84 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -56.95 -57.77 11.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -39.89 -57.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.33 -36.48 91.72 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.439 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.7 tp -53.87 -38.21 64.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.349 . . . . 0.0 110.906 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -82.67 -39.27 22.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -71.28 -64.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.922 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.461 ' CD1' ' HE3' ' A' ' 33' ' ' LYS . 39.9 m-85 -74.69 -27.49 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.95 -142.24 15.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 19.0 mtt180 -89.48 30.17 1.04 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.856 0.36 . . . . 0.0 110.878 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.1 mmt-85 -89.31 117.25 28.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 8.6 m95 -82.3 -35.64 27.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.36 -37.93 87.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.155 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.461 ' HE3' ' CD1' ' A' ' 27' ' ' PHE . 15.6 mmmt -76.05 -49.11 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.454 HG22 HD11 ' A' ' 38' ' ' ILE . 70.9 mt -58.25 -53.36 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 43' ' ' VAL . 25.0 t -41.33 -52.01 3.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -57.16 -46.11 83.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.9 tp -59.9 -43.1 95.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.454 HD11 HG22 ' A' ' 34' ' ' ILE . 44.1 mt -67.2 -38.04 80.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.25 -65.05 2.38 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 m -59.42 -58.49 8.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.653 HH21 ' NE2' ' A' ' 45' ' ' GLN . 2.0 tpm_? -71.28 138.42 49.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.451 ' O ' ' C ' ' A' ' 43' ' ' VAL . 73.3 p -98.32 152.19 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.167 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 42' ' ' THR . 98.7 t -33.81 -43.43 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 mt -65.05 -62.21 1.69 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.653 ' NE2' HH21 ' A' ' 41' ' ' ARG . 19.8 mt-30 -49.01 -41.69 35.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 97.2 t -66.63 -51.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.6 mtpp -43.26 -52.7 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.8 m -63.32 -64.01 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 52' ' ' GLN . 42.6 t80 -38.49 -45.06 1.0 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.79 -53.98 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 ptt180 -74.27 -26.31 60.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.845 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' TYR . 14.0 tm0? -68.48 -33.09 73.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -63.77 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -57.48 -42.73 83.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -44.53 -45.5 9.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 57' ' ' LYS . 33.5 m-20 -62.7 -55.04 30.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -34.31 -65.69 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 73.4 t -118.88 136.87 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.3 mtmt -89.7 148.61 23.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.4 m -104.56 -60.29 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -103.41 132.48 11.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.494 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.728 ' H ' HD23 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -77.04 -31.0 55.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.54 85.83 5.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -120.08 148.49 43.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -88.14 152.79 21.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.857 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.2 p -141.72 152.57 63.14 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.554 0.692 . . . . 0.0 111.18 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 159.41 53.48 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.722 2.281 . . . . 0.0 112.375 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -52.79 -58.92 5.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -137.57 150.91 47.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.82 147.4 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 7.6 t -56.45 -39.48 73.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.112 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.7 p -103.1 83.09 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.925 0.393 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -70.3 176.4 3.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -46.78 99.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 t -108.77 88.73 2.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.826 0.346 . . . . 0.0 110.852 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 m -96.18 41.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.62 -104.75 0.61 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -97.55 136.96 37.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 10' ' ' VAL . 2.8 m -114.8 81.42 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 10' ' ' VAL . 29.4 m -34.11 106.06 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.121 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -104.77 170.3 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.7 m95 -108.72 156.11 19.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 67.3 p -114.94 149.09 37.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.163 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.4 mm -39.91 -49.1 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.1 tp10 -49.67 -55.14 14.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.63 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -52.29 -47.76 65.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -57.27 -46.43 83.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 45.7 mt -58.25 -46.45 85.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.525 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 45.8 t80 -52.67 -44.33 66.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 22' ' ' GLN . 0.7 OUTLIER -64.14 -57.58 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 21' ' ' GLU . 5.5 tt0 -35.37 -56.77 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -69.48 -46.41 55.82 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 10.5 tp -43.2 -39.68 3.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.903 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.74 -39.97 61.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -71.71 -63.82 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -71.0 -29.94 66.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 100.81 -102.58 2.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -119.49 31.7 6.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.856 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.446 ' O ' HD12 ' A' ' 34' ' ' ILE . 56.0 mtt-85 -93.52 116.97 29.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . . . . . . . . . 9.9 m95 -82.2 -40.45 21.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.644 ' HA ' HG22 ' A' ' 43' ' ' VAL . 63.5 m -55.53 -41.42 73.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 36' ' ' LYS . 33.4 mmtt -70.73 -62.98 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 30' ' ' ARG . 46.1 mt -40.75 -44.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 72.9 m -55.94 -38.35 70.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -63.24 -41.56 99.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.911 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.75 -63.35 1.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.411 HG22 ' H ' ' A' ' 40' ' ' SER . 74.2 mt -61.86 -55.3 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.86 -39.46 3.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.52 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.411 ' H ' HG22 ' A' ' 38' ' ' ILE . 72.6 m -61.79 -41.45 97.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 2.3 mmp_? -92.13 173.09 8.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 p -121.92 159.39 26.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.644 HG22 ' HA ' ' A' ' 32' ' ' THR . 42.3 t -41.87 -37.66 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.9 mt -65.07 -64.38 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 40.4 mm-40 -47.84 -45.52 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 70.4 t -65.26 -44.23 95.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' ' CG1' ' A' ' 43' ' ' VAL . 31.7 mtpt -55.38 -54.25 46.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -63.98 -52.51 59.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.482 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.1 t80 -47.48 -49.67 25.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.2 -36.57 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.112 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.2 mtp180 -80.71 -40.79 24.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 49' ' ' TYR . 6.9 tt0 -60.42 -39.99 89.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.526 ' CE2' ' HE2' ' A' ' 57' ' ' LYS . 28.7 t80 -52.72 -62.43 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -51.5 -45.24 62.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttpp -52.91 -45.0 67.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 57' ' ' LYS . 25.5 m-20 -70.58 -50.45 37.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.526 ' HE2' ' CE2' ' A' ' 53' ' ' TYR . 17.2 mtmt -34.41 -62.05 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.449 HG22 ' H ' ' A' ' 60' ' ' CYS . 3.1 p -88.22 119.06 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 mtmm -109.27 41.58 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.449 ' H ' HG22 ' A' ' 58' ' ' VAL . 52.0 t -50.8 103.57 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 161.32 -72.13 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 62' ' ' LEU . 2.1 pp -169.21 119.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.742 0.306 . . . . 0.0 110.951 -179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -114.5 -59.38 2.03 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.4 tttt 49.95 41.01 22.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -107.38 139.3 42.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 t -54.94 143.37 52.52 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.554 0.693 . . . . 0.0 111.132 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 170.99 15.32 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.658 2.239 . . . . 0.0 112.327 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -151.45 148.16 27.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.17 95.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -87.94 134.62 33.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 26.2 m -141.88 128.18 19.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.6 m -114.76 -47.06 2.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.6 t 46.4 42.15 10.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.918 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.28 114.67 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.476 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -124.56 99.84 6.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 t -60.03 -62.27 2.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.53 66.3 0.34 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.463 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -159.05 168.35 26.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.962 0.411 . . . . 0.0 110.89 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -141.32 109.37 5.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 10' ' ' VAL . 1.4 p -89.83 14.77 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.098 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -38.66 147.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.5 m95 -52.33 161.63 0.63 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.1 p -118.33 150.07 40.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -42.72 -58.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -43.82 -40.03 4.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -75.07 -44.4 47.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -58.09 -39.54 78.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 19' ' ' LEU . 5.9 pt-20 -69.26 -35.45 76.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.448 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 25.6 mt -72.51 -46.59 53.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CE1' HD22 ' A' ' 24' ' ' LEU . 1.8 t80 -51.46 -48.99 62.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -63.5 -54.42 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -40.51 -56.43 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -72.41 -27.78 69.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.547 HD22 ' CE1' ' A' ' 20' ' ' PHE . 11.7 tp -64.12 -34.94 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.22 -35.57 21.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 ttmp? -75.54 -61.63 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -77.13 -28.65 54.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.99 -133.39 11.58 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -96.64 27.26 3.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -82.09 110.19 17.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.541 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 6.5 m95 -80.3 -31.98 38.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.459 ' HA ' HG22 ' A' ' 43' ' ' VAL . 7.1 p -68.22 -25.06 65.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -86.02 -49.66 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 54.5 mt -58.55 -43.38 86.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 t -52.34 -47.97 65.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 30.5 mttt -65.39 -43.06 91.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.71 -56.47 13.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 46.9 mt -67.5 -49.99 65.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.92 -41.1 2.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.7 t -63.37 -39.63 95.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.833 0.349 . . . . 0.0 110.851 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -99.04 172.09 7.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.6 p -121.41 156.6 32.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' A' ' 32' ' ' THR . 78.9 t -38.93 -43.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.6 mt -60.48 -65.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -44.37 -50.04 9.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 89.3 t -60.48 -52.15 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.148 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.541 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 24.0 mtpp -44.32 -52.88 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.901 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 49' ' ' TYR . 8.2 t -63.08 -68.29 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.489 ' O ' ' N ' ' A' ' 52' ' ' GLN . 24.7 t80 -35.17 -47.23 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 49' ' ' TYR . . . -36.64 -48.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.085 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -73.57 -32.95 64.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 tm0? -66.75 -28.56 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -75.95 -54.98 6.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -54.34 -24.93 21.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -83.51 -65.97 0.95 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -46.97 -23.81 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.85 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' CE ' ' HA ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -42.18 -69.67 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.547 ' O ' HG12 ' A' ' 58' ' ' VAL . 25.3 t -106.98 -0.55 9.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -162.7 115.74 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.5 142.34 45.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.31 -94.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.577 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.7 OUTLIER -107.43 79.6 1.32 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 0.0 110.963 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -160.07 169.12 24.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -124.43 111.35 15.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -143.77 145.52 32.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.5 p -70.86 144.82 91.09 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.542 0.687 . . . . 0.0 111.149 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 135.69 31.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.344 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -152.6 152.44 31.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -68.18 156.85 36.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.6 ptmt -93.31 142.41 27.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 m -70.48 140.74 51.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.527 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -65.2 84.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.2 m 63.93 48.34 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.9 135.88 3.76 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -50.63 -57.36 8.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 110.815 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -93.8 -45.2 7.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.65 -80.85 0.28 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -136.76 139.13 41.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.835 0.35 . . . . 0.0 110.921 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.1 m -78.9 135.45 36.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.3 m -95.2 79.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -53.04 146.27 11.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.9 m0 -66.07 169.59 6.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.1 p -117.9 150.42 39.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.171 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -42.69 -55.52 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -44.69 -61.36 1.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.12 -53.66 40.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -43.58 -40.27 3.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.11 -60.32 2.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.7 mt -48.84 -52.92 21.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 4.0 t80 -45.05 -50.38 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 24' ' ' LEU . 13.3 mt-10 -59.82 -55.67 31.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -38.1 -58.77 0.93 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.37 -18.44 75.22 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 10.6 tp -70.21 -17.37 63.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -94.7 -54.29 3.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.131 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 ptpt -64.48 -44.07 92.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -91.27 -25.2 19.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.46 -132.72 11.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 mtm180 -92.17 21.12 5.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.759 0.314 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -76.81 113.61 14.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.555 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 9.6 m95 -79.79 -45.79 18.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.693 ' HA ' HG22 ' A' ' 43' ' ' VAL . 73.7 p -53.25 -45.69 68.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.1 mttp -63.97 -63.57 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 37' ' ' LEU . 89.7 mt -43.08 -59.81 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' ILE . 34.6 m -34.54 -53.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -47.44 -44.18 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 34' ' ' ILE . 7.9 tp -56.09 -70.55 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.6 mt -49.58 -48.24 20.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.84 -42.64 2.51 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.525 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -63.96 -45.08 90.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 110.888 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -85.57 172.52 10.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' VAL . 66.7 p -130.16 152.93 49.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.148 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 32' ' ' THR . 89.1 t -34.0 -45.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.36 -66.73 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -45.18 -52.66 9.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 85.4 t -56.06 -43.43 75.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.555 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 58.5 mttt -56.3 -38.82 71.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 83.0 p -75.44 -50.21 16.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.814 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.483 ' O ' ' N ' ' A' ' 51' ' ' ARG . 1.2 t80 -56.34 -51.25 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.424 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -34.0 -34.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 49' ' ' TYR . 12.1 mtp-105 -85.9 -49.12 8.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -50.22 -39.83 45.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -57.56 -60.98 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' CD2' ' O ' ' A' ' 50' ' ' ALA . 55.0 m-85 -47.8 -43.88 28.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -47.04 -42.44 18.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 57' ' ' LYS . 80.6 m-20 -76.64 -45.76 28.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 56' ' ' ASN . 15.7 mmmt -34.77 -61.03 0.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 58' ' ' VAL . 14.5 p -92.12 119.04 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.123 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 58' ' ' VAL . 7.4 mtmp? -37.64 153.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 90.8 m -138.71 142.68 38.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.537 ' C ' HD22 ' A' ' 62' ' ' LEU . . . 37.7 -108.84 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.506 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.537 HD22 ' C ' ' A' ' 61' ' ' GLY . 3.6 mm? -114.78 88.32 2.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.846 0.355 . . . . 0.0 110.938 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.14 151.41 29.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.0 tptp -121.89 -50.52 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -91.25 147.57 22.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.8 p -134.86 145.34 54.26 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.591 0.71 . . . . 0.0 111.09 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -178.22 2.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -98.25 38.7 1.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -123.39 99.42 6.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 156.58 22.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.1 m -72.78 105.84 4.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.501 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 m 65.87 42.33 3.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 4' ' ' GLY . 79.7 p -83.82 42.61 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.893 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 34.72 44.24 0.45 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.473 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.7 p -78.32 101.74 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.957 0.408 . . . . 0.0 110.87 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 m -144.55 151.03 38.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.899 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.47 83.33 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.2 t80 60.62 49.08 6.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.903 0.382 . . . . 0.0 110.955 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 83.8 p -118.29 136.53 53.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 10' ' ' VAL . 34.2 m -96.4 112.99 29.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 36.8 tptt -138.93 153.63 48.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -120.68 149.57 42.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.8 p -109.86 153.75 24.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.4 mm -43.96 -54.89 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.17 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -43.88 -61.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -52.43 -60.27 3.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtmt -39.9 -48.17 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.953 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -53.49 -48.26 69.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.6 mt -57.99 -52.45 65.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.716 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 12.7 t80 -48.37 -49.03 36.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.8 -40.61 95.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.1 -49.61 76.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.16 -28.59 61.89 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 6.6 tp -61.45 -33.26 73.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.343 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -88.05 -36.37 17.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.7 tttp -73.42 -62.71 1.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -77.95 -28.86 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.68 -143.03 15.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -86.83 29.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.794 0.331 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -90.98 114.69 27.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.529 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 7.7 m95 -79.56 -41.71 26.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 67.9 p -57.22 -34.24 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -77.15 -53.38 7.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.921 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.82 -50.05 76.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t -42.47 -45.6 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -64.3 -43.75 93.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 36.2 tp -50.12 -45.39 52.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.7 mt -76.44 -53.09 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.089 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.3 -38.31 2.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 m -65.43 -41.56 93.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.845 0.355 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HD3' ' CB ' ' A' ' 45' ' ' GLN . 1.8 mmp_? -97.3 169.97 9.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.6 p -116.85 156.2 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.476 ' CG1' ' HE2' ' A' ' 47' ' ' LYS . 76.0 t -38.11 -41.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.37 -69.36 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.489 ' CB ' ' HD3' ' A' ' 41' ' ' ARG . 41.9 mm-40 -40.8 -40.02 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 49' ' ' TYR . 99.5 t -67.5 -58.81 4.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HE2' ' CG1' ' A' ' 43' ' ' VAL . 34.2 mttm -42.47 -35.46 1.05 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 68.6 m -80.15 -29.42 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.855 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.492 ' N ' ' O ' ' A' ' 46' ' ' VAL . 6.3 t80 -76.62 -53.16 8.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.961 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.529 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.99 -44.51 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.084 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -80.73 -34.41 34.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.1 tm0? -60.65 -46.06 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.947 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.508 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 27.5 t80 -49.76 -66.57 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.1 m-85 -37.87 -35.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.5 ttpp -59.52 -54.17 49.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.508 ' OD1' ' CD1' ' A' ' 53' ' ' TYR . 0.3 OUTLIER -54.06 -50.16 67.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.822 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' A' ' 56' ' ' ASN . 12.8 mtmm -34.55 -54.29 0.54 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.918 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.607 ' O ' HG13 ' A' ' 58' ' ' VAL . 11.8 p -136.56 109.62 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.099 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.67 171.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 6.8 t -113.5 -56.63 2.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -86.87 -145.88 9.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.448 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.3 mt -109.12 87.37 2.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.805 0.336 . . . . 0.0 110.96 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -174.23 114.22 0.19 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -93.8 110.82 22.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.576 ' HG2' HG22 ' A' ' 66' ' ' THR . 2.0 pm0 -92.45 -27.6 17.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.576 HG22 ' HG2' ' A' ' 65' ' ' GLU . 14.1 t -170.18 140.99 1.66 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.572 0.701 . . . . 0.0 111.187 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 173.98 10.14 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.693 2.262 . . . . 0.0 112.364 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -111.04 127.45 55.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -161.33 122.05 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' A' ' 71' ' ' THR . 1.4 tmtp? -111.74 139.98 46.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.426 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 40.9 m -103.55 93.72 5.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.517 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' GLY . 53.3 m -34.59 127.83 0.46 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 -179.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 m -55.74 122.43 11.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.9 -172.97 21.95 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.467 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m 43.64 41.89 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.853 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 m -129.85 114.46 15.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.52 137.07 2.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -95.07 158.26 15.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.368 . . . . 0.0 110.934 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 10' ' ' VAL . 6.3 t -81.74 110.84 17.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 9' ' ' SER . 21.8 t -33.96 107.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -153.96 138.91 17.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.534 ' CZ2' ' CB ' ' A' ' 49' ' ' TYR . 20.3 m95 -55.49 168.01 0.44 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.425 ' O ' ' C ' ' A' ' 14' ' ' ILE . 46.5 p -142.49 149.07 38.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.425 ' C ' ' O ' ' A' ' 13' ' ' THR . 35.7 mt -35.6 -55.24 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -43.02 -55.25 3.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -69.04 -57.45 5.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt -39.1 -40.82 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.06 -59.66 3.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 49.8 mt -49.92 -44.01 50.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.447 ' CD1' ' C ' ' A' ' 20' ' ' PHE . 1.0 OUTLIER -52.02 -46.78 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' GLN . 3.6 mm-40 -67.32 -54.66 18.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 21' ' ' GLU . 2.1 tt0 -36.89 -52.83 0.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -73.59 -31.32 60.83 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.472 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 tp -56.59 -23.47 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -87.65 -62.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.068 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.545 ' HE2' ' CZ ' ' A' ' 27' ' ' PHE . 19.2 ptmt -58.58 -47.95 82.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 37.8 m-85 -82.94 -29.13 29.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 94.15 -135.28 12.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 mtm105 -90.44 12.6 18.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 71.3 mmt-85 -71.32 115.42 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.479 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 13.8 m95 -82.78 -39.02 22.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.9 p -54.68 -41.01 69.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.5 mttm -71.46 -60.19 2.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 78.3 mt -46.66 -51.3 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.413 ' HA ' HG21 ' A' ' 46' ' ' VAL . 14.0 t -46.64 -43.34 17.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 49.9 tttm -67.4 -46.03 74.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 20.8 tp -48.24 -55.95 9.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 86.1 mt -68.35 -42.67 84.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.4 -59.1 4.06 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.2 t -50.35 -42.98 53.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.446 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 8.3 mmt-85 -83.53 179.3 7.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.2 p -134.77 155.96 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.9 t -38.0 -44.57 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.1 mt -64.42 -69.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -41.39 -47.0 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG21 ' HA ' ' A' ' 35' ' ' SER . 87.0 t -62.51 -48.3 88.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.15 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 9.4 mtpm? -51.99 -39.77 59.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.3 t -71.18 -60.56 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.534 ' CB ' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 t80 -41.71 -44.17 3.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -38.14 -45.84 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -72.28 -33.53 67.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' A' ' 49' ' ' TYR . 2.9 tt0 -65.2 -35.34 80.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -59.15 -60.54 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -57.76 -24.27 56.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -71.87 -49.45 37.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 57' ' ' LYS . 21.9 t30 -55.26 -51.59 66.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 56' ' ' ASN . 17.4 mtmm -34.28 -65.81 0.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 58' ' ' VAL . 11.4 p -107.51 121.94 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.115 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -94.71 147.41 23.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 4.5 t -122.46 139.54 53.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 173.99 125.06 0.82 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.466 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.707 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.9 OUTLIER -43.95 -38.98 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.92 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -136.31 164.11 28.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -163.47 121.82 1.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -74.06 83.09 1.77 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.673 HG23 ' HD2' ' A' ' 67' ' ' PRO . 83.9 m -154.32 139.16 11.69 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.567 0.699 . . . . 0.0 111.149 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.673 ' HD2' HG23 ' A' ' 66' ' ' THR . 54.1 Cg_endo -69.7 87.97 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.742 2.295 . . . . 0.0 112.352 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -41.96 -43.55 3.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -152.36 133.18 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -166.39 156.52 12.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 72' ' ' GLY . 75.8 p -121.51 -31.14 4.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.488 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 p -92.44 42.48 1.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.876 0.369 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.7 m -126.83 -57.34 1.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.1 92.11 0.21 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.449 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -111.02 115.64 29.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.91 0.386 . . . . 0.0 110.858 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -53.96 -40.54 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.862 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.42 167.7 11.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 20.2 p90 -73.23 161.51 30.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.389 . . . . 0.0 110.903 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m -114.23 143.62 44.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.58 ' O ' HG12 ' A' ' 10' ' ' VAL . 39.7 t -91.93 50.19 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.136 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 12' ' ' TRP . 5.5 tppp? -73.49 153.58 40.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.437 ' N ' ' HG3' ' A' ' 11' ' ' LYS . 14.6 m95 -114.76 145.29 42.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.7 p -95.4 145.53 25.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.3 mm -44.24 -55.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -42.72 -56.2 3.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' OE1' HG23 ' A' ' 38' ' ' ILE . 6.5 mm-40 -54.68 -59.9 4.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttm -40.27 -44.02 1.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.9 -50.77 72.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.905 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.7 mt -58.68 -44.43 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.735 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 34.5 t80 -52.76 -56.26 16.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 22' ' ' GLN . 11.6 mt-10 -53.73 -55.97 21.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.916 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 21' ' ' GLU . 0.3 OUTLIER -35.59 -57.84 0.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -70.05 -45.58 55.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 9.3 tp -45.93 -21.85 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.857 0.36 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.57 -37.83 12.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -79.99 -57.3 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -79.07 -23.55 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.6 -113.25 4.64 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -110.28 14.85 22.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.58 111.44 6.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.533 ' CD1' ' HG2' ' A' ' 47' ' ' LYS . 7.8 m95 -77.92 -40.2 40.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.8 p -59.16 -28.12 66.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 46.1 mttt -81.64 -57.73 3.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.956 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mt -52.38 -53.5 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.151 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.7 t -38.23 -52.41 1.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -59.18 -42.54 91.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.867 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.2 tp -49.47 -41.87 41.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.424 HG23 ' OE1' ' A' ' 16' ' ' GLU . 79.4 mt -83.3 -54.42 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 83.59 -45.23 3.43 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.475 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.0 t -59.89 -37.95 80.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . 6.4 mmp_? -102.06 155.45 18.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 17.1 p -92.32 171.47 9.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.4 t -64.25 -36.24 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -58.64 -49.27 78.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.12 -41.79 99.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.26 -25.2 33.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.533 ' HG2' ' CD1' ' A' ' 31' ' ' TRP . 80.9 mttt -78.72 -37.54 41.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.1 t -85.36 -18.87 32.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -80.89 -46.25 15.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.51 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -41.53 -41.18 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.088 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -82.4 -35.89 27.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -59.41 -45.33 91.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -53.77 -61.61 2.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -46.93 -30.51 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -80.78 -42.27 22.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -62.34 -43.49 98.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -39.61 -61.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 92.8 t -117.29 127.86 74.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.163 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -125.72 121.42 33.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 93.7 m -46.14 103.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 167.76 83.53 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.461 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.3 mt -87.09 81.87 7.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -91.93 42.9 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt 61.07 43.19 11.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -95.6 170.24 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 p -92.8 147.52 34.22 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.571 0.7 . . . . 0.0 111.176 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.87 3.14 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.645 2.23 . . . . 0.0 112.339 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -134.28 168.1 19.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -125.37 110.31 13.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -53.68 144.95 16.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.6 m -126.94 144.24 51.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -124.21 -45.24 1.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -61.8 110.04 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.89 173.59 17.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.5 m -129.75 -54.64 1.15 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 t -68.36 154.28 42.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.99 153.68 6.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 4.4 t80 69.39 40.6 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 10' ' ' VAL . 17.0 m -91.91 42.31 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.848 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 9' ' ' SER . 1.4 m -34.63 106.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -120.63 151.53 39.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.799 ' CE3' ' CE2' ' A' ' 49' ' ' TYR . 8.9 m0 -109.0 171.6 7.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.2 p -132.69 148.59 52.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.163 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 14' ' ' ILE . 3.9 mp -37.97 -46.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -49.9 -58.0 6.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.493 ' OE2' ' CZ ' ' A' ' 41' ' ' ARG . 24.0 mt-10 -62.17 -52.39 64.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.3 mtmm -46.85 -40.89 14.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -62.18 -48.11 81.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.39 -59.87 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.638 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -39.88 -48.56 2.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -60.84 -56.61 19.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -38.14 -60.22 0.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -68.39 -31.27 73.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.638 HD13 ' CZ ' ' A' ' 20' ' ' PHE . 11.9 tp -55.29 -19.99 10.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.348 . . . . 0.0 110.941 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -91.94 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 27' ' ' PHE . 14.2 pttt -57.23 -27.92 62.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 26' ' ' LYS . 45.5 m-85 -105.52 -29.62 10.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 24' ' ' LEU . . . 97.34 -141.34 15.55 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtm180 -90.04 28.91 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.7 115.03 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.519 ' CH2' ' HB1' ' A' ' 50' ' ' ALA . 8.5 m95 -78.6 -38.6 39.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.469 ' HA ' HG22 ' A' ' 43' ' ' VAL . 21.9 m -60.08 -39.33 85.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -69.6 -49.85 50.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 37' ' ' LEU . 58.7 mt -60.53 -52.97 55.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' ILE . 51.6 p -37.73 -45.27 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -65.14 -40.44 94.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.884 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ILE . 8.0 tp -54.77 -64.29 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.9 mt -56.18 -42.31 72.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.141 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.01 -43.55 3.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.2 t -73.03 -43.08 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.682 ' HB3' HG23 ' A' ' 46' ' ' VAL . 4.5 mpt_? -74.73 -178.43 3.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' LEU . 71.4 p -148.89 151.88 35.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.163 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.469 HG22 ' HA ' ' A' ' 32' ' ' THR . 85.2 t -33.39 -34.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' THR . 41.8 mt -76.07 -60.92 2.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -53.59 -50.52 65.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.682 HG23 ' HB3' ' A' ' 41' ' ' ARG . 74.3 t -58.24 -27.22 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -75.74 -42.24 51.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 p -73.9 -21.76 59.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.799 ' CE2' ' CE3' ' A' ' 12' ' ' TRP . 1.7 t80 -84.08 -51.22 7.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' CH2' ' A' ' 31' ' ' TRP . . . -36.23 -40.2 0.21 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -81.08 -37.35 29.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' TYR . 4.2 tt0 -63.0 -35.99 82.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -56.44 -63.1 1.3 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -50.13 -54.13 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -49.73 -38.48 33.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 57' ' ' LYS . 27.2 t-20 -73.8 -47.6 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 56' ' ' ASN . 37.6 mtpt -34.18 -45.71 0.22 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.9 p -151.81 147.9 14.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.137 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.38 104.83 16.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 5.1 t -106.09 138.28 42.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.78 158.78 29.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.442 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 pp -128.37 26.9 5.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.929 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.61 39.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -162.09 159.4 26.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 14.8 tm-20 -106.25 101.0 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.0 t -145.68 142.63 18.23 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.572 0.701 . . . . 0.0 111.155 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 134.99 29.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -76.57 104.12 6.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 26.3 tm0? -124.53 95.18 4.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -105.48 -52.94 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 44.2 p -48.26 103.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.129 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 179.961 . . . . . . . . 0 0 . 1 stop_ save_