data_2n6p_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 2n6p _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 2' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.796 0.331 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.39 -171.29 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.79 141.34 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.06 1.98 58.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.782 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.2 136.25 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -99.86 123.2 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 pt -142.46 130.24 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.67 141.59 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.18 104.7 9.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.12 171.51 25.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.413 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.13 161.97 26.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -153.67 142.9 21.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.6 p -137.01 152.34 50.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.6 109.46 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -103.67 144.47 31.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.09 97.91 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.407 ' HE1' ' CE1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -58.49 129.64 42.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.08 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.7 t80 -117.55 168.38 10.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.81 157.74 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.059 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER 78.66 -63.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.603 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.71 41.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.449 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 23.7 m0 -106.98 168.88 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.149 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.1 130.5 1.94 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 t -101.94 112.02 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -112.28 139.14 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -120.17 129.22 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.604 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.78 129.83 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.08 129.42 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.875 0.281 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.09 134.82 47.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.35 128.49 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.1 mt -118.69 125.27 49.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.37 137.69 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.3 mt -91.78 132.08 36.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.716 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -102.05 143.78 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -126.14 126.45 44.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.407 ' CE1' ' HE1' ' A' ' 52' ' ' MET . 28.1 m-85 -106.4 78.51 0.53 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.204 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.61 -46.15 1.4 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.194 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -27.08 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.0 112.23 4.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.6 57.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.255 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.12 -170.72 0.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.838 0.351 . . . . 0.0 110.63 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.67 19.25 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.0 t -64.61 142.58 58.37 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.86 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.499 ' CZ ' ' CD2' ' A' ' 154' ' ' TYR . 12.3 m-85 -89.54 139.11 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -110.83 85.16 4.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.784 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 59.1 Cg_endo -71.94 149.33 53.07 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.599 2.199 . . . . 0.0 112.405 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -155.77 142.99 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.79 144.8 12.64 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.582 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.54 -166.17 28.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 177.27 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.42 -165.03 32.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.4 157.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -113.91 136.15 53.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.992 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 179.911 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.99 120.21 23.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.07 151.4 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.87 152.72 22.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.408 ' HG3' ' CE2' ' A' ' 167' ' ' TRP . 0.0 OUTLIER -145.72 117.24 8.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.35 118.38 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -166.25 -144.91 4.26 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.767 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 16.7 m-85 -136.15 176.98 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -140.19 117.52 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -112.18 85.68 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.008 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.469 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.8 ptt? -84.62 152.8 23.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.7 -28.15 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.06 4.33 4.22 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.536 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.39 -48.11 9.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.428 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -135.14 -35.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -163.97 -173.04 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.2 OUTLIER -116.85 163.94 15.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -110.82 134.42 52.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -128.21 111.33 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -123.54 124.57 43.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.64 170.86 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.467 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 33.3 m -96.93 129.29 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.776 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.408 ' CE2' ' HG3' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -114.73 142.18 46.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.66 153.54 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.738 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 103.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 28.5 t . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.768 0.318 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.74 140.21 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.48 143.29 47.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.85 147.91 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.41 -165.53 22.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -122.0 -178.09 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.66 164.41 31.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -135.99 143.11 44.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -105.49 113.99 27.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -147.46 138.38 23.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.99 115.95 18.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.58 5.14 34.27 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.818 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.04 126.9 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -89.93 121.03 31.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.0 mt -133.29 142.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.414 ' CG1' ' CE1' ' A' ' 49' ' ' PHE . 3.7 mp -106.22 135.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.59 102.07 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.57 -168.46 44.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.581 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.19 142.95 19.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 144.37 49.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.18 145.51 43.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' CG1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -123.39 108.93 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 t -102.85 149.11 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.296 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -123.16 92.23 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.01 131.41 48.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 15.5 t80 -117.98 162.84 17.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 55' ' ' ASP . . . -58.25 161.59 4.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.75 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.93 -61.05 0.36 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.012 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.77 40.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.603 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.7 m-90 -107.76 162.59 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.967 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.16 146.18 9.41 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.458 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.56 111.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.795 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.98 149.38 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.66 129.47 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.728 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 t -95.12 135.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.276 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 130.05 2.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.207 -179.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.464 -0.222 0 CA-C-O 120.809 0.254 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.52 110.58 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.0 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -87.69 137.68 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.14 127.16 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.637 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.407 ' HA ' ' HA2' ' A' ' 115' ' ' GLY . 0.6 OUTLIER -132.56 134.41 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.234 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.94 124.48 33.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.56 137.02 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -136.69 144.15 43.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.663 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -117.05 83.27 14.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.28 -52.12 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.757 2.304 . . . . 0.0 112.504 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -120.19 33.05 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.69 114.51 3.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.343 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.23 43.1 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.262 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 p -135.03 -170.41 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.768 0.318 . . . . 0.0 110.432 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.3 19.24 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.359 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 p -82.09 130.14 35.0 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 110.799 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.53 -62.95 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' A' ' 108' ' ' PHE . 12.7 p90 -70.94 119.76 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 107.14 17.81 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.168 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.94 153.18 58.12 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.445 2.097 . . . . 0.0 112.016 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -163.61 146.28 9.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.93 155.05 25.92 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.243 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.32 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.667 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.3 -178.89 3.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 95' ' ' LEU . . . -157.94 171.23 34.94 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.762 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.3 p -155.06 147.67 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -110.81 127.47 55.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.35 -0.3 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -174.55 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.007 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.03 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -136.33 157.18 23.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.873 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.06 116.84 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.3 mp -149.82 133.32 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.47 -144.89 7.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.617 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -146.16 129.39 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -96.69 113.99 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -104.0 85.67 2.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.394 . . . . 0.0 111.217 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.514 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -76.66 142.46 40.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.948 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -31.87 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.96 -0.43 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.803 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.54 -48.0 9.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -134.41 -36.87 0.87 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.14 -173.04 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.787 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.9 pp -116.81 170.53 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.82 129.33 51.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -120.53 122.78 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.68 117.13 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.65 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -156.18 176.04 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.452 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 32.7 m -96.84 116.62 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.74 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.4 110.21 22.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.47 128.46 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.81 163.96 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.088 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.898 0.38 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -145.83 143.09 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.99 155.74 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.28 147.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -147.47 -167.1 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.562 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.4 150.57 28.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -155.23 -157.01 8.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.437 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -137.97 146.64 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -105.07 135.27 46.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -156.09 -177.57 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.14 139.77 31.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' CE1' ' A' ' 7' ' ' PHE . . . 102.11 -1.98 51.18 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.756 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.94 150.37 29.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 5' ' ' GLY . 19.0 m-85 -119.01 115.45 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.9 128.18 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.414 HD13 ' CD2' ' A' ' 207' ' ' PHE . 1.9 mt -96.51 106.47 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.226 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.53 160.32 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.711 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 203' ' ' PHE . . . -149.92 -162.38 10.44 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.606 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.535 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.813 0.339 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.03 143.12 30.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.0 144.96 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.278 . . . . 0.0 110.734 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 70.3 p -140.3 157.88 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.5 120.32 38.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.85 127.4 53.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -109.93 86.49 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.75 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.99 130.43 46.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -113.73 -176.46 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.14 153.42 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.066 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.9 -61.56 0.49 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.824 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 0.3 OUTLIER 164.61 39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.968 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.43 ' CE2' ' HB3' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -83.82 -174.86 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.632 179.778 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 121.42 0.57 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.597 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.401 ' CG1' ' CD2' ' A' ' 94' ' ' LEU . 22.1 t -101.72 111.75 32.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.854 0.359 . . . . 0.0 110.671 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.22 140.86 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 48' ' ' THR . 0.9 OUTLIER -127.29 132.72 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.641 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.32 125.53 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.264 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.15 131.08 2.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 111.216 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.832 0.263 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.27 104.95 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.1 m -101.72 146.15 28.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.401 ' CD2' ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -124.79 148.13 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.407 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 4.5 tt -159.2 123.95 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.38 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.96 115.71 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.392 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -101.97 149.96 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TRP . 25.8 p90 -150.09 138.61 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.605 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 36.0 p90 -49.2 106.55 0.64 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.06 -47.36 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.397 2.065 . . . . 0.0 112.23 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 26.3 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.98 117.71 5.76 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.16 44.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.246 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -170.58 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.612 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -84.47 19.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.448 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 52.9 p -79.04 135.98 37.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.842 0.353 . . . . 0.0 110.807 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.83 -32.65 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 106' ' ' SER . 24.6 p90 -73.22 151.7 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -100.53 96.98 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.04 137.47 41.06 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.451 2.101 . . . . 0.0 112.235 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.79 138.02 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.86 150.3 22.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.83 -164.85 36.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.744 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.56 179.31 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.718 0.294 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -179.2 -164.98 32.72 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.69 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 33.1 t -113.32 154.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.773 0.32 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -120.91 128.57 52.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.81 122.36 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 156.51 17.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.08 138.27 10.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.719 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -134.69 116.86 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.6 mt -144.68 130.97 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 173.49 -145.02 8.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.69 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -142.2 169.48 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.28 115.16 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -104.74 85.66 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.144 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.522 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 7.4 ptt? -65.61 148.35 51.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.87 -36.98 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.9 t30 78.66 -2.51 2.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.724 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.32 -48.08 9.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.097 0.475 . . . . 0.0 110.473 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.81 -36.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.701 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -164.77 -172.95 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.631 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.9 pp -116.94 166.77 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.974 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.45 137.21 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.73 111.23 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.9 ttp -128.75 138.28 52.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.8 176.96 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.414 ' CG1' ' CE1' ' A' ' 199' ' ' TYR . 35.2 m -96.92 117.7 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -92.72 110.51 21.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.46 128.31 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -68.89 148.56 50.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 31.5 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.77 0.319 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.414 ' CE1' ' CG1' ' A' ' 166' ' ' VAL . 6.5 m-85 -124.32 144.91 49.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.88 128.27 40.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mt -105.07 144.45 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.99 -167.76 19.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.653 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . 0.419 ' CZ ' ' HA3' ' A' ' 11' ' ' GLY . 42.2 p90 -121.94 176.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -159.86 171.91 36.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.623 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -155.26 153.13 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.46 129.8 55.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . 0.414 ' CD2' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.831 0.348 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -163.77 165.7 22.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.76 116.6 14.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.409 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 106.7 5.25 36.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.839 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 123.68 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.23 109.45 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.9 117.62 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.37 132.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.03 164.49 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.33 138.31 2.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.55 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.773 0.32 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.58 142.53 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mp -122.18 151.05 41.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.39 143.3 26.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -113.73 117.39 31.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.682 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.4 m -107.89 131.21 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.409 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 7.1 t80 -122.85 90.37 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 134.96 56.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -121.22 156.11 33.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -59.28 154.53 16.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.639 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 6.4 m-20 83.8 -60.84 0.11 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.312 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 159.79 43.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 30.2 m95 -127.92 -175.31 3.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.497 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.09 176.18 34.86 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.825 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.46 150.9 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.706 0.288 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -138.6 118.92 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.16 138.02 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.51 126.83 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.39 155.26 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.926 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.799 0.25 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -159.08 146.99 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -119.81 135.23 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mp -128.17 124.01 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.1 154.61 49.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.42 150.79 19.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -101.75 144.74 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 57.5 t80 -150.0 125.51 10.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.2 p90 -132.58 90.26 33.65 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.796 0.331 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 98' ' ' TYR . 72.3 Cg_endo -77.13 -44.3 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.676 2.251 . . . . 0.0 112.258 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 73.0 mtm -102.84 28.44 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.14 131.89 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.71 43.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.214 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 -170.43 3.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -83.36 19.19 1.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.539 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -61.44 153.77 26.2 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.41 -52.83 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -96.7 146.71 24.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.75 87.6 22.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.3 148.8 68.85 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.507 2.138 . . . . 0.0 112.264 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.76 137.97 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.15 146.05 16.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.386 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.01 159.58 24.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.752 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.42 123.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.703 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.65 -164.83 17.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.559 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.8 m -115.78 159.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.86 126.9 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 118' ' ' TYR . 3.3 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.04 132.75 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.31 151.55 36.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.52 156.16 27.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.18 136.14 18.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.5 tt -145.78 126.74 14.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -168.05 -144.99 4.37 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.88 152.47 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -121.42 122.9 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.696 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.438 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 41.9 t80 -106.52 85.16 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.001 0.429 . . . . 0.0 111.217 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.53 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.5 ptt? -66.51 140.36 57.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.828 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.28 -36.96 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.42 -4.27 2.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -85.37 -48.01 9.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.034 0.445 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -134.55 -35.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -165.63 -172.91 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 1.7 mt -117.0 169.3 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -113.21 138.87 49.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -131.73 110.33 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 87.8 mtp -130.75 126.89 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -163.86 164.54 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 23.6 t -97.02 122.6 48.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.44 ' CE3' ' CB ' ' A' ' 200' ' ' MET . 0.9 OUTLIER -89.93 149.14 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -130.38 101.86 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.3 mtp -99.11 133.74 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -146.13 141.18 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' MET . . . . . 0.44 ' CB ' ' CE3' ' A' ' 167' ' ' TRP . 3.3 tpt -130.43 123.53 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.9 tt -127.36 146.47 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.94 20.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -122.48 -178.78 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.63 148.22 19.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -136.54 138.96 41.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.312 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -109.02 141.04 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.4 m80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.41 -173.1 2.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.01 148.84 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.89 -2.06 66.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.749 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 141.76 54.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -108.2 121.51 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 pt -144.62 144.81 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -113.96 145.67 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.249 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -131.39 112.56 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.92 -178.79 35.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.401 ' HA2' ' CA ' ' A' ' 202' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.688 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.14 154.1 45.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.16 134.33 55.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.73 136.07 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -101.04 116.04 31.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.2 146.03 31.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.34 107.04 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.703 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.6 mtt -69.75 127.89 34.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -118.28 165.44 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.92 154.03 19.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.793 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.8 OUTLIER 79.4 -61.41 0.32 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.904 179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 162.37 44.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.958 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -102.51 144.8 30.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.196 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.35 125.35 2.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.254 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.77 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.47 139.69 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.81 107.62 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.382 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.3 m -90.78 119.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 111.455 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.18 -175.32 3.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.973 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.969 0.32 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.0 148.81 22.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.9 m -132.54 143.81 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 94' ' ' LEU . 3.6 mp -115.64 143.13 45.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.408 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -149.46 142.95 25.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.153 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.425 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 58.2 mt -118.53 111.15 18.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.244 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.82 153.18 20.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.422 . . . . 0.0 111.107 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 19.9 m-85 -122.59 140.36 52.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.752 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 p90 -123.77 87.3 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.35 -51.74 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.415 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.36 -27.05 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.55 118.44 14.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.377 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.66 44.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.202 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.2 t -144.48 -170.38 3.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 110.667 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.07 19.11 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.54 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -86.64 153.95 21.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.781 0.324 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.22 -30.33 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -77.37 131.48 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -128.34 90.35 47.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.19 146.5 57.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.611 2.208 . . . . 0.0 112.372 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.79 137.99 28.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.67 136.65 5.48 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 96' ' ' LEU . . . -179.15 -164.78 32.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.996 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -133.57 -178.82 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.99 -164.89 32.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.715 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.39 143.82 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.91 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.04 140.76 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.1 151.88 33.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -152.68 148.23 18.84 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -145.74 121.41 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.23 118.74 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -175.29 -144.91 5.2 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.625 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -150.53 149.4 29.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.092 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.51 114.95 29.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.705 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -99.02 85.69 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.559 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.1 ptp -71.11 144.61 50.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.66 -34.45 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 t30 77.26 -0.94 2.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -85.44 -48.09 9.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 110.525 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -136.75 -35.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.48 -172.81 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.6 pp -116.95 168.77 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.748 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.76 142.99 47.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 111.108 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -125.6 117.44 23.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.64 128.52 42.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.5 175.02 8.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.89 126.21 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -99.31 136.71 38.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -129.11 139.42 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.0 112.34 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.086 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.768 0.318 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -137.64 154.07 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 4.0 tpt -114.03 127.52 55.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.2 tt -147.09 114.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . 0.401 ' CA ' ' HA2' ' A' ' 12' ' ' GLY . . . -143.33 -167.15 11.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.68 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -160.48 131.56 5.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.195 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -144.31 -156.99 7.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -158.93 143.71 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.52 140.99 28.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 m170 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.11 -168.91 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.08 45.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.42 1.66 50.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.83 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 122.76 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.772 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.21 120.36 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.22 124.16 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 tt -99.55 150.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -135.38 149.38 49.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.75 138.73 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.838 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.561 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' A' ' 12' ' ' GLY . 9.2 tt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.34 137.39 13.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.551 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.03 128.54 56.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.345 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.7 m -133.06 136.73 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -101.52 128.95 47.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.504 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -127.64 113.79 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.211 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.413 ' O ' ' CA ' ' A' ' 58' ' ' GLY . 5.6 t80 -86.74 120.62 28.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.343 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.34 116.64 17.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.516 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -102.67 168.87 8.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.9 150.23 2.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 74.29 -62.99 0.44 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 10.4 mttt 164.37 37.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.104 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.435 ' CD1' ' HB3' ' A' ' 98' ' ' TYR . 4.3 t90 -99.4 179.02 4.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.701 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 51' ' ' TYR . . . 166.19 165.18 23.12 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.405 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.53 112.2 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.79 131.39 42.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.083 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 tt -137.13 109.1 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.714 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.3 p -90.95 146.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.42 134.87 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.753 0.23 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.82 139.62 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.0 m -135.23 130.74 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.4 tt -126.42 154.96 42.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 pp -162.97 149.23 12.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' A' ' 96' ' ' LEU . 6.3 mp -96.78 124.58 40.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -107.18 125.3 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 40.7 p90 -131.4 137.76 48.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.558 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 38.8 p90 -56.33 106.41 0.67 Allowed Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.52 -52.23 0.28 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 111.92 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -121.93 -26.28 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.1 152.11 5.35 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.843 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.06 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.281 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p -152.46 -170.66 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.5 19.15 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.593 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.0 p -63.55 161.4 14.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.57 -57.9 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -70.98 153.21 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -113.58 90.91 19.03 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 111' ' ' TYR . 31.8 Cg_exo -58.24 161.85 13.02 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.598 2.199 . . . . 0.0 112.341 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 12.2 m-85 -166.18 138.01 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -151.96 157.85 27.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.33 -166.74 39.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.02 172.21 16.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.17 -164.93 28.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.23 140.0 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -107.1 137.84 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.73 115.34 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 167.2 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -147.46 160.83 28.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.596 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -153.87 116.93 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.786 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.9 mp -143.92 133.5 23.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.28 -145.08 8.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -147.01 145.77 29.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.77 114.36 28.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -97.13 85.74 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.2 OUTLIER -65.08 153.11 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.01 -41.33 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 78.81 -5.61 2.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.725 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -42.74 14.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 110.551 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -143.05 -35.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.28 -172.98 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.0 mp -117.03 173.13 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.19 145.87 42.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -137.6 107.98 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -125.81 126.18 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -161.32 176.44 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.01 120.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -89.96 116.41 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.08 116.1 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.95 160.22 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.26 148.57 29.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 143.73 51.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 42.1 pt -138.46 151.18 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.12 -163.35 21.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -121.99 171.12 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.45 163.99 29.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.544 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.93 139.19 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 135.09 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.893 0.378 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -128.54 -167.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.98 125.8 32.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.71 2.3 27.23 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.82 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 148.75 46.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.783 0.325 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -121.45 112.52 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.97 130.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 tt -101.67 138.06 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.1 157.18 44.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.81 142.05 3.4 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.31 152.3 20.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.86 145.07 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -140.23 159.89 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 3.9 m-85 -125.27 116.47 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -96.59 146.46 24.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.41 90.39 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.3 tpt -60.67 127.03 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -112.58 178.68 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.63 153.06 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.863 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 78.54 -61.78 0.35 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.706 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 162.68 39.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.635 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.442 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -88.87 169.84 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.716 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.92 119.98 0.75 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.14 111.86 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -104.19 134.73 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -114.47 138.09 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.747 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.0 133.12 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.05 128.15 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.833 0.264 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -134.65 135.73 42.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.5 m -132.35 126.13 32.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mp -113.0 138.04 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.91 142.21 23.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.025 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.442 ' CD2' ' CD1' ' A' ' 57' ' ' TRP . 1.7 tt -112.92 119.71 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 1.1 pt20 -117.15 154.16 31.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.008 0.432 . . . . 0.0 111.148 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -115.86 144.54 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.815 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.36 97.11 6.9 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.46 -38.12 11.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.436 2.09 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -120.65 32.72 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -111.39 100.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.82 44.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.88 -170.73 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.575 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.08 19.19 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.418 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.1 m -70.02 -177.92 1.47 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.03 -57.3 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -83.94 137.98 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -117.09 94.09 43.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.65 141.47 27.79 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -151.52 153.02 33.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.468 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.05 156.84 28.1 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.034 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.466 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . 175.25 -164.82 35.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.652 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -179.02 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 177.83 -172.29 44.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.4 m -116.51 150.77 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -131.33 126.09 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.76 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.54 126.55 42.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -109.34 162.99 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -156.87 170.28 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.574 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.09 132.86 10.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.9 mt -150.74 127.48 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 171.87 -144.93 8.38 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.608 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -160.94 156.92 25.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -109.96 114.61 28.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 29.1 p90 -105.53 94.66 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.466 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 7.3 ptt? -77.23 147.28 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 11.0 mp -89.85 -21.73 22.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.581 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 14.8 m-80 68.24 5.86 4.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -48.65 8.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.11 0.481 . . . . 0.0 110.477 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.66 -33.86 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.42 -172.22 4.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.828 0.347 . . . . 0.0 111.352 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.8 mp -116.0 163.47 15.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.3 130.77 56.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.915 0.388 . . . . 0.0 111.177 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.73 136.97 49.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.65 127.8 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.49 169.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 33.6 m -96.89 120.72 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.97 112.61 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -77.9 111.65 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 44.8 mmm -68.84 162.67 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.893 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.825 0.345 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.57 143.43 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tpt -116.95 133.67 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 11.7 tt -124.47 127.61 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.09 -158.86 8.14 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -122.02 167.7 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.82 167.29 30.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.635 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -147.02 134.25 20.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.813 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -88.07 133.52 33.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.937 0.399 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 174.7 9.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.04 133.93 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.56 5.25 48.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.837 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.65 128.78 38.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.01 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -101.2 104.94 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.3 mm -119.58 124.02 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -94.99 125.04 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.81 161.17 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 140.36 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.234 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.688 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.46 146.0 18.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -118.48 144.9 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.6 m -145.57 130.08 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -90.67 114.74 27.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -100.21 145.88 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.01 104.09 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.41 135.14 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.05 159.37 34.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.66 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 55' ' ' ASP . . . -61.35 161.85 8.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 4.2 m-20 79.71 -58.94 0.36 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.81 39.15 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -101.78 140.93 35.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.159 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -148.5 120.01 1.14 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.481 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.47 117.29 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -125.26 118.65 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.05 119.71 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.441 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.0 t -90.82 138.3 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.394 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 -174.93 3.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.466 -0.136 0 CA-C-O 120.776 0.24 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -148.16 108.97 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.3 m -116.41 127.92 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.67 145.25 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 mp -142.21 121.2 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.441 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 1.9 mt -91.95 136.09 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.437 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 111' ' ' TYR . 2.4 mm-40 -116.88 140.73 49.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.95 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -128.73 124.57 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 12.8 p90 -134.37 84.78 39.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.04 -51.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 0.0 112.643 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -123.41 -27.24 4.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.322 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.55 -113.52 4.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.77 44.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.253 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.4 p -147.33 -170.7 3.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.283 . . . . 0.0 110.696 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -83.63 19.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.552 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 75.61 9.86 3.51 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.536 0.208 . . . . 0.0 111.304 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.48 -32.65 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.604 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.416 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 32.6 m-85 -99.37 153.53 18.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.08 80.4 0.51 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 152' ' ' PHE . 73.2 Cg_endo -73.95 156.1 47.88 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.623 2.215 . . . . 0.0 112.424 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CE1' ' OE1' ' A' ' 97' ' ' GLN . 5.8 p90 -163.29 146.19 10.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.43 139.75 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.305 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 96' ' ' LEU . . . -176.35 -164.65 30.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.715 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 mp -147.73 173.78 12.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 111.064 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -165.66 -164.83 21.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.415 HG12 ' CE2' ' A' ' 118' ' ' TYR . 20.8 t -121.18 139.53 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -121.82 113.98 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.415 ' CE2' HG12 ' A' ' 116' ' ' VAL . 14.0 m-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.375 -0.29 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.43 134.63 45.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.59 170.52 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.337 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -140.37 151.91 22.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -146.29 123.41 11.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.82 125.88 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.775 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -172.33 -147.85 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 110' ' ' PRO . 0.7 OUTLIER -145.68 148.78 33.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.42 134.83 47.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.998 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -128.22 85.77 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.676 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.509 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -80.11 153.06 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.306 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.3 -27.88 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 74.04 4.35 4.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.29 -48.09 9.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 0.0 110.6 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.36 -35.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.757 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.42 -172.93 3.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.98 169.15 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -110.72 144.52 39.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -140.72 114.13 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.8 ptm -133.75 145.8 50.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.471 ' HA ' ' HA3' ' A' ' 151' ' ' GLY . . . -169.05 178.58 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.87 130.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.899 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -106.89 136.65 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.49 137.44 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.497 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -148.65 105.54 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 111.071 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.773 0.32 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -125.52 142.47 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 6.5 ttp -125.86 149.24 48.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 23.6 pt -127.49 160.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -169.12 -166.1 27.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.413 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -126.26 175.96 7.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -163.3 174.73 39.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.667 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -134.93 127.53 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -109.19 141.01 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 169.62 24.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.56 134.25 46.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.14 5.06 60.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.764 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.41 124.19 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -85.04 104.93 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -112.62 129.52 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.001 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -101.1 116.99 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.53 153.42 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.99 -161.99 9.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.12 147.63 19.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.65 141.48 47.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.598 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 p -148.68 139.26 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.93 167.1 14.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.33 113.53 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 111.435 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -93.27 85.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.079 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.7 ttm -62.3 121.31 12.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.634 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -98.82 127.63 44.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.26 94.78 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' ALA . 4.6 m-20 28.85 60.5 0.13 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.14 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.74 -36.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.487 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.54 -175.66 5.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.231 0.539 . . . . 0.0 111.72 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.74 119.61 0.53 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.948 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.2 141.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.262 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.66 141.01 50.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.007 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.49 121.56 38.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.93 144.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.394 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.97 131.5 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.891 0.288 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.406 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -152.89 109.93 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -108.8 126.62 53.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -128.48 124.88 37.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.425 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.65 137.38 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.391 . . . . 0.0 111.387 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.54 119.58 39.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.337 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.414 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -102.66 149.34 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.565 -179.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 13.9 t80 -109.26 148.68 30.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.643 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 98' ' ' TYR . 2.7 m-85 -105.3 84.47 1.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 -47.87 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.51 29.48 7.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.18 111.83 3.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.332 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.78 44.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.214 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 -170.66 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.72 19.16 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.546 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -74.04 143.63 45.41 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.11 -56.92 7.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -71.51 142.34 50.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -114.92 95.36 41.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.46 148.6 38.16 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.509 2.139 . . . . 0.0 112.377 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 111' ' ' TYR . 2.1 p90 -164.02 144.56 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.76 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.14 141.97 10.38 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.6 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -170.79 -164.61 26.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.859 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -142.87 160.58 40.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.834 0.35 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -159.97 -173.75 28.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.63 139.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -122.6 113.85 19.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 92' ' ' ALA . 6.8 p90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.683 -0.167 . . . . 0.0 112.683 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.54 137.06 35.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.87 134.26 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.99 149.18 17.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.548 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -131.47 138.44 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.73 124.09 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 174.95 -154.75 19.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.661 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -153.89 158.68 41.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.01 139.82 34.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 162' ' ' PHE . 2.3 t80 -129.1 85.62 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 111.25 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.446 ' HB3' ' HB3' ' A' ' 161' ' ' LEU . 1.2 ptt? -88.06 147.87 24.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.886 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.01 -31.56 13.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.518 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 44.1 t30 76.54 -3.1 2.59 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -85.48 -48.03 9.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -129.9 -33.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -166.39 -172.45 2.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.017 0.437 . . . . 0.0 111.704 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 155' ' ' MET . 3.5 mp -116.54 156.43 26.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 154' ' ' TYR . 0.3 OUTLIER -127.79 150.24 49.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.832 0.349 . . . . 0.0 111.148 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -136.14 146.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.46 130.77 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.09 177.05 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.98 141.2 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -120.26 127.85 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.8 103.28 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -115.52 95.93 5.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.846 0.355 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 199' ' ' TYR . 3.0 p90 -138.45 146.23 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.3 tpt -135.34 128.79 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 4.2 pt -107.57 126.11 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -134.01 176.37 19.81 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.553 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -134.8 139.11 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.32 -164.07 9.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.564 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -152.66 145.73 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 129.15 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 171.3 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.402 ' CB ' ' N ' ' A' ' 54' ' ' ALA . . . -79.74 143.69 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.15 -8.07 44.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.88 152.49 19.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.697 0.284 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 207' ' ' PHE . 12.2 p90 -125.74 130.04 50.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mp -136.17 140.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.419 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 3.7 mp -105.62 137.27 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.182 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -136.26 146.42 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.4 138.08 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.83 0.347 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.05 137.49 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.408 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.88 146.34 49.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 t -155.4 149.85 26.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 6.2 m-85 -115.92 143.01 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.649 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.99 127.87 45.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.427 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 5.3 m-85 -111.39 99.33 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.82 129.24 40.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.372 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.62 179.24 4.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.402 ' N ' ' CB ' ' A' ' 4' ' ' ALA . . . -55.22 149.51 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.054 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 77.61 -62.15 0.38 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.603 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER 164.93 38.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.47 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CD1' ' HB3' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -87.66 -174.03 4.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.907 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 172.21 130.22 1.22 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.74 111.62 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.838 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -96.23 122.7 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.206 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -111.89 119.97 40.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.468 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.72 136.51 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.28 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.95 118.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.757 0.232 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.63 111.65 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 m -126.82 137.59 53.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.01 119.52 21.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mp -135.11 150.03 50.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -106.93 111.17 23.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.69 155.56 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.436 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 5.8 p90 -146.84 150.16 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.507 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 88.4 m-85 -93.48 110.08 44.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.41 -52.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.572 2.182 . . . . 0.0 112.303 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.72 29.19 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.9 104.9 2.37 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.51 43.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.14 -170.45 2.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.58 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -83.39 19.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.396 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.69 154.8 40.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.7 -33.61 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -94.94 143.18 26.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.33 89.92 6.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.83 134.19 13.2 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.588 2.192 . . . . 0.0 112.284 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.416 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 23.1 p90 -146.17 159.26 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.117 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.99 136.67 8.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.246 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.11 170.74 24.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.825 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.2 132.92 12.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -158.14 -164.99 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.709 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.02 146.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 111.162 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.18 121.51 35.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 34.6 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.03 148.8 16.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 111.1 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -142.52 -177.55 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -150.95 151.09 23.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -132.37 129.36 39.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.718 0.294 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.83 123.48 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.86 -145.1 5.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.592 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -158.11 177.98 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -133.07 136.24 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.677 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -107.47 84.98 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 0.0 111.253 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.495 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 23.0 mtm -69.95 121.75 17.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.979 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.67 -33.8 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.2 t30 77.26 -1.44 2.76 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.51 -48.11 9.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.99 0.424 . . . . 0.0 110.522 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 -34.43 0.55 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -163.95 -172.99 3.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.049 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.0 pp -117.06 176.3 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -109.91 150.02 29.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.883 0.373 . . . . 0.0 111.088 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -136.56 107.5 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -136.97 131.09 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.84 171.1 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.07 134.67 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -117.72 112.79 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.54 99.72 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.809 0.338 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -142.99 149.64 38.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 15.3 ttp -128.34 128.03 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pt -122.79 141.21 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -159.64 -162.49 12.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.02 175.35 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.33 154.64 25.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -155.22 121.19 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.41 138.16 36.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . 0.423 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 2.2 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.833 0.349 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -134.53 -176.08 4.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.21 119.44 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.69 5.09 27.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.809 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.41 126.62 28.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -81.87 104.98 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mm -121.06 122.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.3 pt -95.03 129.44 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.43 162.95 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.78 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 137.94 3.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.828 0.347 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -122.92 135.56 10.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.608 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mt -119.16 141.51 48.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.641 0.258 . . . . 0.0 110.506 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 p -143.2 135.77 27.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 111.451 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.77 118.15 32.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.097 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -112.05 134.01 53.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.764 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -109.04 90.55 3.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.955 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.94 123.68 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.834 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.97 134.54 34.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.846 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.0 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ALA . 12.7 m-20 28.33 60.82 0.12 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.216 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -166.92 -34.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.735 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -152.04 -176.68 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.24 0.543 . . . . 0.0 111.966 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.08 119.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 m -102.01 139.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -132.41 150.03 52.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 tt -133.77 125.01 27.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.46 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.89 136.37 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.364 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 131.68 2.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.853 0.272 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.13 154.59 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.8 m -127.79 127.42 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.12 131.92 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.34 158.2 43.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.35 145.38 48.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.27 143.63 50.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 86.7 t80 -100.27 150.1 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.95 89.04 45.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.186 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.48 -52.25 2.06 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.529 2.153 . . . . 0.0 112.184 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -25.92 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.8 116.8 3.53 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.73 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.62 44.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.132 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -170.58 3.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 110.615 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -84.56 19.22 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.464 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.25 -175.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.34 30.63 6.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.416 ' CD2' ' HD3' ' A' ' 110' ' ' PRO . 41.2 p90 -173.94 143.6 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.62 90.2 5.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 108' ' ' PHE . 40.0 Cg_endo -67.16 131.87 26.31 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.56 2.174 . . . . 0.0 112.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CE1' ' OD1' ' A' ' 153' ' ' ASP . 7.2 p90 -148.25 140.91 24.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.65 132.51 4.45 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.65 -164.82 27.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.557 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -123.64 177.15 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -151.95 172.07 31.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.407 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.73 135.83 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -108.03 130.85 55.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.611 -0.196 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.77 126.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.12 168.7 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.94 154.92 18.38 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.596 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -147.03 121.23 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.76 126.74 7.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.025 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . 169.5 -144.96 8.96 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.568 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -148.88 163.29 37.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.402 ' OD1' ' CE1' ' A' ' 111' ' ' TYR . 20.7 m-20 -114.45 114.04 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -93.96 85.73 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.513 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.2 ptp -68.0 153.04 44.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.156 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.79 -33.67 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.8 t30 76.35 1.61 3.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.711 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.51 -48.02 9.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -143.11 -35.65 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.798 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.33 -172.88 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.805 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.8 OUTLIER -116.85 174.31 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -116.21 149.21 39.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.939 0.399 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.77 123.06 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.42 124.54 21.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.41 ' HA ' ' HA3' ' A' ' 151' ' ' GLY . . . -163.7 177.68 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 17.1 m -98.75 133.8 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.828 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.417 ' CE3' ' HG2' ' A' ' 200' ' ' MET . 0.0 OUTLIER -108.04 109.13 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -77.97 137.52 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.526 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.81 145.8 53.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.919 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.48 138.7 52.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' MET . . . . . 0.417 ' HG2' ' CE3' ' A' ' 167' ' ' TRP . 0.0 OUTLIER -144.75 151.55 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 4.4 pt -134.42 142.18 41.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.213 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.56 -177.62 23.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.98 161.46 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -160.72 175.29 37.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.624 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -158.33 121.06 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -101.21 141.01 34.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 74.2 m80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -177.15 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.03 140.61 50.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.22 5.22 67.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.758 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.3 123.55 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.33 114.51 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.2 131.57 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.6 pt -107.23 158.97 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -156.89 161.84 39.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 137.87 2.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.418 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.84 0.353 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.11 141.79 15.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.29 148.04 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.635 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 m -149.19 136.65 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.252 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.55 143.86 32.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.548 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.3 p -133.01 120.22 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.223 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -110.37 96.23 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.39 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -56.68 132.54 52.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.322 -179.488 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -112.31 170.39 8.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.25 153.49 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.867 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 77.61 -60.89 0.42 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.872 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 164.06 41.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.618 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -103.36 177.1 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.026 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.3 153.76 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.642 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.31 111.95 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -97.12 143.08 28.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 111.224 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.01 110.49 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.44 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.8 t -90.79 127.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.09 -175.01 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.814 0.256 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -147.48 117.3 7.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.37 130.46 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 117.48 28.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.756 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.91 155.02 45.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.64 139.98 46.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.98 146.42 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 58.3 t80 -141.73 125.33 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.77 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 66.2 m-85 -103.83 94.24 6.14 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.34 -49.97 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.481 2.12 . . . . 0.0 112.542 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 tpt -112.54 -27.08 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.33 151.94 44.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.407 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.52 -17.18 1.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.59 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.79 -170.79 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.739 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -91.2 19.3 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.1 p -69.23 155.3 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.791 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.3 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.79 122.74 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.7 81.62 9.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.023 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.42 22.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.491 2.127 . . . . 0.0 112.213 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -159.31 157.13 29.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.6 148.88 16.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -167.81 -165.03 24.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.621 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.4 tp -143.5 161.71 37.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.66 -165.31 21.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.38 158.9 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -120.84 124.54 45.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.589 -0.204 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.0 174.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.803 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -144.07 146.3 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -134.81 154.73 21.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.412 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.45 118.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 8.4 tt -147.18 123.11 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -177.15 -144.96 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.609 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.36 155.47 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -110.69 132.11 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -128.48 85.79 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.361 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.54 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.2 ttt -64.07 143.87 57.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -32.87 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 75.29 0.37 3.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.701 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.55 -47.92 9.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.128 0.49 . . . . 0.0 110.35 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -143.12 -34.88 0.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.8 -172.7 4.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 1.3 pp -116.79 167.33 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.814 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.31 138.44 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 111.167 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -138.85 113.12 8.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.742 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.4 ttm -124.83 146.72 49.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.66 179.77 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.26 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.05 127.84 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -109.09 108.64 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.44 109.13 20.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.8 mmt -124.48 118.92 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.855 0.359 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -124.61 115.53 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -100.09 148.39 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.56 115.54 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.39 158.4 23.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.582 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.18 154.66 49.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -167.72 -156.93 10.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.647 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -142.57 160.71 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -117.24 139.12 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.25 -175.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.19 143.05 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.6 5.23 69.33 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.759 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.01 125.53 21.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.897 0.38 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -99.47 107.87 20.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.67 141.87 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -94.86 123.83 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -121.47 152.71 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.66 -162.02 13.85 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.648 179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.84 157.35 24.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 158.47 23.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 0.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.6 m -155.8 131.82 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.186 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -90.43 156.42 18.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.418 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 141.86 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 111.586 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -133.85 87.56 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.1 ttp -71.91 129.18 37.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.82 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -88.95 140.87 28.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.888 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.0 92.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 31.49 60.73 0.28 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.03 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.421 ' HG2' ' CZ3' ' A' ' 57' ' ' TRP . 18.7 tttp -163.76 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.845 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.421 ' CZ3' ' HG2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -151.46 -170.75 3.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.865 -179.277 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.67 175.3 44.51 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.065 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.9 149.84 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -144.17 135.96 26.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.55 107.01 3.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.84 139.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.99 140.53 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.919 0.3 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.12 146.44 42.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.413 ' HA ' ' CE1' ' A' ' 118' ' ' TYR . 1.4 t -156.3 147.97 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.29 150.13 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.73 135.57 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.171 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 57' ' ' TRP . 5.4 tt -84.07 150.55 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.561 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.99 129.06 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.946 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.66 124.08 49.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -116.74 79.36 9.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.33 -45.81 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.631 2.221 . . . . 0.0 112.256 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 mtt -112.0 -27.02 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.14 133.65 52.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.2 3.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.758 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 p -84.78 -170.65 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.66 19.18 3.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.51 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -173.91 0.22 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.781 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.42 -65.04 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -71.58 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -110.73 89.02 8.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.97 151.81 14.29 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.683 2.255 . . . . 0.0 112.261 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -171.04 153.72 3.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.35 165.1 22.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.292 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 149' ' ' GLU . . . -136.73 153.48 21.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.813 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.81 128.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 110.739 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -171.69 -164.74 27.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.606 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.37 154.05 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.71 126.18 47.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 93' ' ' THR . 7.4 p90 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.19 142.85 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.89 130.02 43.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -133.33 145.84 17.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.318 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 113' ' ' GLY . 9.3 pt-20 -129.29 152.18 49.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 mt -146.7 119.86 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -173.96 -144.94 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.588 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -164.25 140.17 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.87 117.9 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.4 85.95 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.976 0.417 . . . . 0.0 111.198 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.507 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.2 ptm -79.1 140.89 37.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.024 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' A' ' 156' ' ' LEU . 6.0 mp -89.01 -27.17 21.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.699 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 75.06 3.28 4.11 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.55 -45.0 12.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.667 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.05 -32.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.655 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -158.91 -172.45 3.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.019 0.438 . . . . 0.0 111.747 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.34 153.98 31.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.01 129.24 55.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.887 0.375 . . . . 0.0 111.074 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.03 119.88 39.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -135.66 127.22 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 169.13 10.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 149' ' ' GLU . 34.1 t -96.92 115.87 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.978 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . 0.423 ' CD2' ' HE2' ' A' ' 200' ' ' MET . 14.4 m95 -95.24 129.85 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -138.36 101.42 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 6.7 ptp -124.18 122.19 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.998 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 13.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.705 0.288 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -130.39 131.08 45.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' MET . . . . . 0.423 ' HE2' ' CD2' ' A' ' 167' ' ' TRP . 17.4 tpp -118.28 148.87 42.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.73 117.73 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -135.02 159.97 24.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -122.14 138.23 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.65 -176.56 24.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.573 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -159.05 132.99 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 137.47 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.805 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -160.18 -177.9 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.06 133.48 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 93.78 5.2 63.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.723 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 126.36 28.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.857 0.361 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.79 114.38 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.08 139.53 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mt -95.76 130.75 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.59 141.07 51.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.73 -173.97 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.08 144.29 12.4 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.544 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -118.28 148.65 42.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.696 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.3 m -152.65 133.33 13.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -93.44 165.99 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.89 142.23 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.122 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.43 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 6.3 t80 -128.24 85.67 2.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 135.82 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -113.3 134.63 54.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -67.93 89.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.607 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ALA . 1.2 m-20 159.43 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.464 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.7 35.37 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.79 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -119.89 157.79 28.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.081 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.63 126.14 1.53 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.553 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.0 111.97 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.47 146.11 29.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.83 110.59 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.0 147.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.65 124.96 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 C--O 1.23 0.094 0 CA-C-O 120.899 0.291 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.32 166.07 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -145.3 113.37 6.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.77 124.07 51.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.18 138.57 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.15 118.31 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -101.81 144.02 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -135.55 140.23 44.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.5 p90 -137.11 88.41 17.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.54 -27.79 15.16 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.509 2.14 . . . . 0.0 112.273 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.1 mtm -108.13 30.69 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.46 146.31 16.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.68 -1.79 5.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.733 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.0 t -84.86 -170.5 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.311 . . . . 0.0 110.668 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.73 19.19 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.6 t -68.67 136.6 53.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.73 70.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.413 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 19.1 p90 -93.49 146.92 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.51 88.22 18.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.0 140.87 97.31 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.583 2.189 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -154.14 137.89 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.08 141.46 8.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.673 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.35 -168.34 38.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -147.14 -178.99 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -178.66 -164.96 32.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m -125.52 149.49 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -117.98 129.33 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.29 127.27 40.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.92 172.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -130.88 160.36 23.24 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.649 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -156.04 125.09 6.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.336 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.56 116.58 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -168.93 -144.97 4.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.625 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -148.53 146.84 28.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -100.5 116.85 33.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -106.25 85.66 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.512 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -71.26 144.61 49.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.004 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 1.3 mt -90.61 -28.0 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.768 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 4.2 m-80 68.94 2.04 3.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.97 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.75 -48.25 8.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.175 0.512 . . . . 0.0 110.3 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -143.29 -35.7 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.439 ' CB ' ' CE2' ' A' ' 205' ' ' TYR . . . -150.03 -172.86 4.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.3 pp -116.89 173.01 6.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.88 146.11 49.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.79 121.07 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 23.5 mtp -132.16 116.09 16.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -154.48 172.61 17.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.436 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 30.7 m -97.01 148.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.656 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -116.79 114.17 23.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.08 142.78 37.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -68.81 160.2 30.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.001 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.809 0.338 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -146.48 117.17 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.37 137.02 48.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.5 pt -138.99 114.47 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -132.4 -171.63 12.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.722 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -137.07 143.59 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -147.35 -168.72 14.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.578 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . 0.439 ' CE2' ' CB ' ' A' ' 160' ' ' ALA . 61.6 m-85 -142.67 161.06 39.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.53 138.12 50.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -114.1 -178.36 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.4 129.9 38.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.08 5.11 64.26 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.33 137.93 58.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.38 104.95 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 tt -127.38 145.36 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.407 HG21 ' CE1' ' A' ' 49' ' ' PHE . 2.7 pt -114.45 154.04 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -138.01 159.95 40.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.28 -172.04 12.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.529 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.89 155.43 48.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 mt -129.86 132.1 46.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.757 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 50.0 p -141.48 130.46 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -93.21 153.86 18.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 179.702 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.5 140.19 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -130.25 94.37 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.82 136.12 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.358 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.22 170.46 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.757 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.54 154.67 24.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.667 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER 79.55 -60.5 0.33 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.834 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 161.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -111.18 175.27 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 97' ' ' GLN . . . -178.11 145.36 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.98 112.01 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.74 150.02 23.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tp -146.72 123.76 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.68 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.9 t -90.96 137.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 179.59 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 C--O 1.23 0.12 0 CA-C-O 120.86 0.275 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.79 140.97 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.39 132.64 48.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tp -111.72 144.36 41.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -159.91 135.64 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.166 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.8 120.74 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.0 OUTLIER -101.92 119.76 39.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 112' ' ' GLY . 16.5 p90 -121.8 150.22 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -112.97 91.82 19.24 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.5 -52.07 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.096 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -27.02 8.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -55.07 117.3 8.02 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.662 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.41 45.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.211 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -153.95 -170.89 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.674 0.273 . . . . 0.0 110.678 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -77.48 5.37 9.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.66 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 p -58.09 139.23 55.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.75 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -96.53 136.27 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -108.67 92.73 10.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.03 133.86 30.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.464 2.109 . . . . 0.0 112.229 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -139.35 159.28 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 98' ' ' TYR . . . -116.31 146.11 18.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.314 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.34 147.43 18.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.711 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.65 129.49 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.728 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -172.58 -164.67 28.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.67 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.407 ' CG2' ' CE2' ' A' ' 118' ' ' TYR . 11.1 p -125.16 146.54 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -116.29 114.05 23.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.407 ' CE2' ' CG2' ' A' ' 116' ' ' VAL . 15.0 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.85 155.79 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.735 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.62 159.02 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.239 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.02 144.94 10.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -132.91 147.14 52.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.84 118.72 5.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.69 -145.19 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.576 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -146.61 176.12 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.15 114.13 22.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -97.22 85.83 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.49 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 19.6 ptt? -75.12 146.97 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.273 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.2 mt -98.26 -23.75 15.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.6 m120 68.88 7.8 6.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.846 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -85.65 -48.37 8.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.28 -36.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.688 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -152.23 -172.61 4.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.75 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -116.71 170.33 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.848 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.36 148.88 41.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.089 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.52 118.31 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 24.5 mtt -126.06 128.61 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.05 169.81 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 6.4 m -96.99 126.25 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -105.36 146.44 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -163.57 134.57 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.793 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.2 ptp -158.5 103.5 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.765 0.317 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.95 118.71 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.7 pt -110.72 147.23 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.11 -169.74 16.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 203' ' ' PHE . 6.8 m-85 -121.83 178.81 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.356 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.76 159.62 32.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -158.93 138.97 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -96.76 139.44 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.4 p80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.86 0.362 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.77 -170.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.55 156.58 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.62 2.4 84.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.825 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 149.71 26.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.837 0.351 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -127.53 115.68 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pt -137.4 137.22 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.052 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -94.87 159.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.2 110.08 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.57 138.5 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.856 0.36 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.42 135.15 12.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tp -126.32 129.05 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.7 m -146.83 134.14 20.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.259 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -88.42 158.14 18.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -138.01 137.63 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.069 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.89 156.59 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.656 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -133.49 117.98 17.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -109.37 168.32 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.723 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.65 158.21 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.702 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 17.1 t70 80.4 -61.57 0.26 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 160.35 43.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.675 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.406 ' CH2' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -104.12 157.57 17.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.13 144.99 10.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -110.12 137.9 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.686 0.279 . . . . 0.0 110.967 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.28 135.73 45.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.67 115.59 15.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.03 132.53 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.192 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.05 -175.01 3.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.754 0.231 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.05 102.92 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.9 m -101.93 121.64 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.27 128.23 54.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 pp -147.39 162.29 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.415 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD12 ' CH2' ' A' ' 57' ' ' TRP . 0.4 OUTLIER -119.79 118.9 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.45 179.623 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.43 153.28 20.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.78 139.98 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.64 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 67.2 m-85 -107.56 80.98 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.31 -42.25 5.8 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.633 2.222 . . . . 0.0 112.186 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -125.22 29.2 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.58 101.55 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.88 44.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.21 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.86 -170.56 3.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 110.664 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -75.39 2.47 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.698 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.9 p -57.26 -176.51 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.45 -42.92 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.21 139.35 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -118.17 79.99 15.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 131.83 17.23 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.574 2.183 . . . . 0.0 112.439 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -137.58 165.9 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.743 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.96 144.67 10.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.31 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 pp -144.07 179.9 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.39 -164.91 28.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.5 m -128.9 145.24 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -108.14 141.95 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.52 107.69 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.8 171.01 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -125.12 153.82 18.11 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.93 116.99 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.756 0.312 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.5 pp -157.95 140.07 14.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.974 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -177.06 -147.61 6.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.721 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -146.36 155.02 42.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -118.38 134.19 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -118.83 85.46 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.471 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.9 ptt? -69.46 149.94 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 5.5 mp -110.04 -33.07 6.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 60.9 m-20 72.43 0.41 3.59 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.838 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.47 -47.96 9.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -137.26 -36.57 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.795 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 205' ' ' TYR . . . -161.58 -172.94 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 1.5 mp -117.0 170.48 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -111.55 148.81 32.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -148.04 132.26 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 12.2 ttt -156.65 150.65 24.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.76 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . 0.432 ' HA ' ' HA3' ' A' ' 151' ' ' GLY . . . -168.9 173.96 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 111.389 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.2 t -96.98 142.36 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.17 107.03 17.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.41 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 39.5 t80 -78.72 148.64 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.7 ptp -68.62 156.57 37.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.97 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -106.29 136.09 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.15 166.8 12.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 40.3 pt -98.89 146.41 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.34 -167.38 11.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.98 178.96 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.758 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.24 167.69 21.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.516 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 160' ' ' ALA . 61.6 m-85 -154.61 135.07 13.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -100.01 128.06 46.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.76 166.7 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.94 130.56 36.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.65 5.23 64.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.636 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 124.37 17.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -81.88 117.52 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.4 mm -128.74 137.69 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.043 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -122.69 118.44 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -126.26 135.34 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.26 137.97 2.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.615 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.462 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.38 136.44 13.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mp -126.86 137.23 53.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.775 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.3 p -141.09 150.97 43.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -113.51 111.34 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.71 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.1 m -96.88 142.9 28.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.171 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.12 95.07 4.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.96 130.67 47.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.377 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB2' ' CB ' ' A' ' 57' ' ' TRP . 2.7 m-85 -109.83 129.07 55.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.855 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -66.87 86.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.537 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 162.81 -55.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.248 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER 160.42 36.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.87 179.336 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -123.11 163.74 19.98 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.424 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.57 122.59 1.11 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.399 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.8 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -117.58 138.17 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.245 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.3 mt -123.41 144.61 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.7 t -102.64 132.36 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.11 137.26 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo . . . . . 0 C--O 1.232 0.214 0 CA-C-O 120.808 0.253 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.2 143.31 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -115.66 144.51 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.06 129.12 39.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.73 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mp -139.22 162.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 mt -124.96 122.33 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.416 ' CE2' ' HG3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -114.45 135.98 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.67 79.76 0.67 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.51 -44.35 2.3 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.544 2.163 . . . . 0.0 112.278 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -106.64 30.19 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.59 130.3 10.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.29 -17.74 2.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -170.76 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.811 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -89.67 19.06 4.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.84 131.73 47.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.769 0.318 . . . . 0.0 110.777 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.82 82.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -81.38 137.82 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.71 85.26 3.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.57 151.13 58.34 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.622 2.215 . . . . 0.0 112.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.25 138.03 13.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.68 146.87 18.86 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.71 -164.99 32.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.51 -178.96 5.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.15 -165.0 30.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.0 164.41 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -138.93 124.16 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.8 p90 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.86 132.58 43.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.56 153.42 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.86 160.95 21.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.36 120.37 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.63 112.88 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 176.69 -144.86 7.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.624 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -158.61 160.87 37.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.35 115.78 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 162' ' ' PHE . 13.1 t80 -90.48 85.24 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.482 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.2 mtm -70.99 151.16 44.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.4 tp -110.22 -40.01 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.725 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t30 78.14 -4.49 2.2 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.734 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.33 -44.14 13.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.059 0.457 . . . . 0.0 110.562 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -36.0 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -164.21 -173.01 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.9 OUTLIER -117.0 168.95 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.416 ' CZ ' ' HE1' ' A' ' 164' ' ' MET . 3.6 t80 -115.88 136.97 52.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.749 0.309 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.01 130.51 53.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' MET . . . . . 0.416 ' HE1' ' CZ ' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -151.48 115.95 5.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.722 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -162.46 167.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.351 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 29.7 t -97.11 118.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -104.51 124.88 50.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.51 97.56 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 3.7 ptm -128.46 106.52 9.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.876 0.37 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -127.02 148.22 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 9.5 tpp -125.95 141.53 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.7 139.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.32 -170.04 22.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.672 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 15.5 m-85 -127.62 142.32 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.95 -170.67 12.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.636 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -156.13 160.85 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.01 129.72 53.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.868 0.366 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.63 148.88 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.45 127.1 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.83 5.33 53.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.636 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.22 146.47 53.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 0.0 111.021 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . 10.2 p90 -126.97 105.02 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.6 pp -112.96 140.35 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' A' ' 49' ' ' PHE . 24.2 mm -95.0 129.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.64 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.89 137.92 2.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.423 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.87 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.747 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.56 131.32 2.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.584 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -124.98 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.732 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -153.97 134.58 13.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 9' ' ' ILE . 5.8 m-85 -91.19 108.49 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -93.14 149.13 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' CB ' ' A' ' 7' ' ' PHE . 89.7 m-85 -141.83 120.22 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.591 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -100.52 131.38 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.28 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HB2' ' CB ' ' A' ' 57' ' ' TRP . 97.4 m-85 -115.07 168.45 9.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.852 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -59.26 158.5 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.955 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 81.28 -62.37 0.19 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.8 45.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.391 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CB ' ' HB2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -103.86 137.76 41.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.992 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.36 119.87 1.42 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.42 120.07 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.717 0.294 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.9 149.67 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.79 119.62 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.9 148.02 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.515 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.2 116.99 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.047 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.992 179.914 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.829 0.262 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.63 133.86 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -137.29 113.91 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 tt -100.07 146.95 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 mp -147.79 154.84 41.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.19 126.01 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.405 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 13.2 mt-30 -117.24 157.75 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 94.3 m-85 -126.48 128.59 47.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CZ ' ' CE2' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -59.71 109.36 1.9 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.932 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.1 -45.84 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.417 2.078 . . . . 0.0 112.402 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 mtm -125.71 2.32 7.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.334 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.1 124.09 34.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.444 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 -28.08 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -170.93 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.817 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -92.77 19.1 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.297 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 p -67.38 141.17 57.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.742 0.306 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.24 -27.35 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -89.59 126.43 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.88 93.94 8.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.62 155.0 59.66 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.569 2.179 . . . . 0.0 112.478 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CE2' ' CZ ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -159.7 138.02 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.11 14.98 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.692 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.02 -165.0 38.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.71 178.7 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -160.81 -164.98 16.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.413 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m -141.66 143.05 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -116.84 124.9 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.98 132.47 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.13 156.75 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -143.76 138.39 8.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.52 120.56 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.06 124.65 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.53 -144.85 8.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -158.68 162.62 37.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.69 116.62 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.25 85.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.493 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 14.2 ptt? -66.43 153.0 43.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.7 tp -103.73 -34.71 8.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.7 t30 76.94 0.37 3.08 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.694 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -85.53 -47.99 9.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.125 0.488 . . . . 0.0 110.405 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -142.89 -35.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.828 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.92 -173.98 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.9 173.47 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.13 138.93 54.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.866 0.365 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -119.38 132.92 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.3 mtt -148.9 123.63 9.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.85 179.54 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 31.1 t -97.1 123.6 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -96.49 146.93 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -147.54 126.7 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.7 ptm -148.86 111.13 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.797 0.332 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.11 127.9 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.0 ttt -121.9 141.89 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.04 133.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.54 -161.05 10.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.592 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.96 165.73 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.14 167.64 25.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.535 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -154.64 140.05 17.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 141.01 50.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -172.84 159.07 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.3 138.0 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.58 5.27 88.54 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.72 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 123.17 8.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.087 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -100.18 112.92 25.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 50' ' ' THR . 6.5 mt -119.67 140.97 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.6 pt -94.72 117.64 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.352 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -108.01 159.4 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.762 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.97 138.15 3.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.579 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.77 17.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.566 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.1 159.57 20.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 5.6 m -158.03 139.8 13.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.543 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -90.17 163.61 14.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.154 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' A' ' 8' ' ' ILE . 2.0 m -146.29 135.76 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 111.814 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.69 85.8 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.025 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.484 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 6.5 ptt? -86.88 140.49 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 112.045 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -105.31 139.37 40.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.251 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.97 101.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 99' ' ' TYR . 25.2 t0 38.06 38.55 0.2 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.624 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -122.66 -58.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.227 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.451 ' CZ3' ' CG2' ' A' ' 59' ' ' VAL . 4.4 p-90 -168.13 -166.48 0.72 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.759 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -166.23 142.32 7.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.561 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.451 ' CG2' ' CZ3' ' A' ' 57' ' ' TRP . 21.6 t -102.97 152.15 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -144.01 133.56 23.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 48' ' ' THR . 7.0 mp -131.96 119.15 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.8 t -90.88 141.5 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.279 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.42 121.65 2.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.802 0.251 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.92 137.78 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 m -117.09 132.07 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.6 119.6 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.406 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 6.1 mp -133.65 147.48 51.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 1.0 OUTLIER -123.03 117.65 25.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.696 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 9.0 pm0 -102.03 153.12 20.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 8.2 p90 -129.89 145.46 51.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.7 p90 -142.17 84.28 11.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.43 -32.92 3.54 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.608 2.206 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.58 -27.01 34.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.27 161.13 50.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.45 -7.6 4.98 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.729 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -84.85 -170.6 3.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.47 19.16 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.433 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 139.64 58.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.38 97.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.223 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -92.56 148.07 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -114.24 91.37 23.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.733 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.27 149.14 56.8 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.533 2.155 . . . . 0.0 112.392 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 20.2 m-85 -156.25 137.88 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.3 136.73 5.55 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -177.55 -164.58 31.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.738 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.09 -178.92 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -170.73 -164.89 27.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.648 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.93 139.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -115.31 118.44 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.581 -0.208 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.48 163.45 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -132.3 -176.27 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.84 150.04 21.47 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.59 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -149.92 117.01 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mt -147.04 130.46 16.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -179.39 -147.13 7.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.734 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -153.25 135.07 14.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -93.55 123.8 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -107.74 85.5 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.507 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.0 ptt? -74.6 141.41 44.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.812 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 tp -95.35 -35.61 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 76.42 -1.14 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.553 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -46.42 10.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.11 -35.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.52 -174.32 4.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 1.0 OUTLIER -119.07 169.02 10.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 15.2 m-85 -122.82 142.47 50.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -139.91 112.35 7.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.5 mtt -130.08 138.2 50.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -157.48 178.4 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 14.3 p -96.98 123.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -93.96 140.53 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.89 122.61 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 24.9 ttt -123.85 100.73 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -127.88 131.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -132.28 158.25 42.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.69 133.78 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -144.18 -175.67 17.52 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -121.89 163.68 18.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.57 166.46 29.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.634 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -156.11 121.3 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -87.46 140.92 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.002 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.9 m170 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -132.8 -176.61 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.7 149.66 46.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 0.36 75.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.811 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.46 129.06 37.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -119.22 125.12 48.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.8 pt -130.1 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -100.08 118.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 177.34 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.51 -166.12 15.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.586 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.61 130.95 10.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.08 142.75 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.11 175.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.98 113.7 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.76 140.56 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.46 100.71 5.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.7 mtp -75.01 124.94 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.4 172.3 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 55' ' ' ASP . . . -59.12 154.46 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.742 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.47 -60.27 0.4 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.002 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.09 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.535 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -100.27 142.21 32.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.043 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.75 120.45 1.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.87 113.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -102.0 145.03 29.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -146.63 108.85 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.84 138.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.276 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.02 138.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.759 0.233 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.43 33.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.54 111.8 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -105.02 117.47 34.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.636 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -126.17 152.96 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.5 mt -126.07 117.2 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.565 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -113.05 170.58 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -141.77 145.61 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.731 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 5.5 p90 -128.34 87.42 55.29 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.28 -45.26 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.59 2.193 . . . . 0.0 112.241 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.5 mmm -77.5 -27.07 51.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.56 144.84 36.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.54 43.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.206 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.86 -170.75 3.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -85.44 19.08 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.462 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -74.64 163.41 27.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 -27.67 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -81.48 118.01 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -108.07 82.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.68 155.2 54.43 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -168.92 149.41 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.17 155.21 26.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.594 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 160.11 -166.22 35.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.575 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -140.94 -179.01 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.779 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -158.52 -167.15 18.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.697 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.0 m -140.5 148.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -106.93 115.52 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.656 -0.178 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.8 pp -130.81 137.21 49.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -113.51 153.24 29.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 168' ' ' TYR . . . -116.56 159.37 13.96 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.647 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -156.01 118.35 4.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.2 mt -155.06 125.23 6.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.05 -144.97 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.563 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -149.14 161.61 41.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.913 0.387 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -112.11 144.74 40.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.836 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' TYR . . . . . 0.424 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.6 OUTLIER -120.01 85.2 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.431 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' MET . . . . . 0.607 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.7 ptt? -79.75 146.11 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.05 -28.68 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.9 t30 75.86 3.96 3.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.669 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -48.05 9.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.135 0.493 . . . . 0.0 110.484 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -138.49 -36.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.7 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -165.88 -172.94 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -117.2 173.18 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -119.34 149.98 40.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.32 121.1 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.1 mtt -132.54 118.79 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.714 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -156.59 -178.36 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.72 142.07 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -115.96 111.75 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' TYR . . . . . 0.423 ' CD1' ' HA3' ' A' ' 148' ' ' GLY . 23.4 m-85 -77.89 137.89 38.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 161.31 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 9.4 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.835 0.35 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -145.78 138.77 25.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.88 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.6 pt -142.85 113.5 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -129.33 -161.41 10.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.6 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -121.81 167.46 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -152.45 145.31 12.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.532 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -134.35 131.18 38.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.4 133.83 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -142.12 -48.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.39 -171.29 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.79 141.34 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.06 1.98 58.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.782 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.2 136.25 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -99.86 123.2 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 pt -142.46 130.24 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.67 141.59 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.18 104.7 9.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.12 171.51 25.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.41 154.05 21.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.413 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.48 145.31 31.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.786 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 60.32 95.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.003 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 p -68.69 148.0 51.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.95 94.26 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -149.47 148.87 27.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.09 153.94 62.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.56 2.173 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.2 76.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.2 -60.37 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -101.18 31.49 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 100.59 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.4 p -127.9 -45.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -111.17 137.76 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 mt -124.17 34.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -78.04 146.32 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.31 30.34 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -113.19 79.81 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.83 -42.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.28 171.08 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -83.68 -57.33 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -166.47 -59.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.7 tpt180 63.63 134.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.67 125.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 t -102.73 -31.73 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -146.62 113.04 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 60.5 99.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.52 39.24 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.48 -56.78 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -112.05 98.43 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 t -76.81 129.42 36.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -81.08 77.47 7.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.86 -38.65 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -59.26 160.81 6.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp -108.93 171.5 7.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.13 161.97 26.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -153.67 142.9 21.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.6 p -137.01 152.34 50.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.6 109.46 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.7 m -103.67 144.47 31.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.09 97.91 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.407 ' HE1' ' CE1' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -58.49 129.64 42.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.08 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.434 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.7 t80 -117.55 168.38 10.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.81 157.74 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.059 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER 78.66 -63.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.603 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.71 41.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.449 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.434 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 23.7 m0 -106.98 168.88 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.149 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.1 130.5 1.94 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.9 t -101.94 112.02 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -112.28 139.14 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.5 tt -120.17 129.22 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.604 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.78 129.83 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.08 129.42 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.74 158.75 43.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.02 139.81 18.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.41 ' HG2' ' CD1' ' A' ' 67' ' ' PHE . 58.8 Cg_endo -72.12 -45.45 0.66 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.455 2.103 . . . . 0.0 112.358 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.41 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 15.4 p90 -138.15 164.82 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -153.05 138.23 17.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 60.67 40.52 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.27 -45.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.46 98.63 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -91.84 136.17 33.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -65.67 145.26 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.06 34.94 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.83 -140.47 15.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -175.03 -42.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.966 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.59 -115.41 0.05 OUTLIER Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.24 -172.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.467 2.111 . . . . 0.0 112.245 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.47 -163.66 42.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.43 165.1 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -113.42 118.1 33.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.87 -56.5 2.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.397 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -67.26 104.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -133.95 -46.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.71 144.29 41.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.36 164.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.44 158.39 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 138.24 33.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -126.46 117.5 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.06 80.26 72.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.74 159.0 52.0 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.621 2.214 . . . . 0.0 112.372 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.09 134.82 47.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.35 128.49 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.1 mt -118.69 125.27 49.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.37 137.69 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 46.3 mt -91.78 132.08 36.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.716 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -102.05 143.78 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -126.14 126.45 44.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.407 ' CE1' ' HE1' ' A' ' 52' ' ' MET . 28.1 m-85 -106.4 78.51 0.53 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.204 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.61 -46.15 1.4 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.194 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -27.08 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.0 112.23 4.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.6 57.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.255 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.12 -170.72 0.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.838 0.351 . . . . 0.0 110.63 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.67 19.25 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.0 t -64.61 142.58 58.37 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.86 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.499 ' CZ ' ' CD2' ' A' ' 154' ' ' TYR . 12.3 m-85 -89.54 139.11 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -110.83 85.16 4.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.784 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 59.1 Cg_endo -71.94 149.33 53.07 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.599 2.199 . . . . 0.0 112.405 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -155.77 142.99 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.79 144.8 12.64 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.582 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.54 -166.17 28.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 177.27 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.42 -165.03 32.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.4 157.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -113.91 136.15 53.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.992 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' CZ ' ' CG ' ' A' ' 144' ' ' TRP . 28.2 m-85 -121.05 141.81 50.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.89 114.14 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 m -148.01 164.34 34.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -97.77 151.46 20.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -130.38 172.09 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.78 159.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -156.78 175.01 14.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.59 27.04 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.9 tt -146.07 -54.55 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.811 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.45 150.35 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.63 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -92.21 42.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.214 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.0 mpp_? -81.09 -34.36 32.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.773 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -57.49 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.58 -30.99 67.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -24.6 66.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.16 -15.15 33.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.673 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.86 161.15 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.88 -53.59 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 13.2 p -163.63 163.04 24.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 16.2 ttt -141.62 114.37 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.35 134.95 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.1 tp -98.45 -42.87 7.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -72.98 156.41 38.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.44 36.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.3 m -129.64 111.06 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . 0.407 ' CG ' ' CZ ' ' A' ' 118' ' ' TYR . 19.8 p90 -124.45 132.03 53.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.408 ' CA ' ' HA ' ' A' ' 171' ' ' ILE . . . -82.63 156.0 34.41 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.637 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.99 120.21 23.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.07 151.4 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.87 152.72 22.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.408 ' HG3' ' CE2' ' A' ' 167' ' ' TRP . 0.0 OUTLIER -145.72 117.24 8.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.35 118.38 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -166.25 -144.91 4.26 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.767 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 16.7 m-85 -136.15 176.98 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -140.19 117.52 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -112.18 85.68 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.008 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.469 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.8 ptt? -84.62 152.8 23.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.7 -28.15 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.06 4.33 4.22 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.536 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.39 -48.11 9.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.428 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -135.14 -35.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -163.97 -173.04 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.469 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.2 OUTLIER -116.85 163.94 15.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -110.82 134.42 52.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -128.21 111.33 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -123.54 124.57 43.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.64 170.86 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.467 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 33.3 m -96.93 129.29 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.776 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.408 ' CE2' ' HG3' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -114.73 142.18 46.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.66 153.54 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.738 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 103.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.98 119.62 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . 0.408 ' HA ' ' CA ' ' A' ' 145' ' ' GLY . 32.4 pt -76.8 129.07 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -126.67 147.29 49.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 6.0 p -134.95 154.25 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.8 39.78 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -116.57 -58.23 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.4 t -75.83 81.0 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.8 pp -122.66 112.73 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -85.52 122.08 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 74.25 133.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.48 -47.8 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.38 2.054 . . . . 0.0 112.343 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 7.8 m -167.22 31.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 179.49 82.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 5.8 tt -159.87 126.91 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 68.22 130.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.53 88.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.7 85.12 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -135.6 22.21 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.084 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.9 m -164.73 31.85 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -131.5 151.87 51.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.054 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 14.0 t 70.96 8.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.709 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 48.79 -173.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.855 0.36 . . . . 0.0 111.257 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.2 p -81.34 127.21 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.75 164.77 25.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 30.6 m -83.64 -179.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.19 161.23 24.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.53 108.82 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.581 2.187 . . . . 0.0 112.29 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 197' ' ' TRP . 0.0 OUTLIER -90.81 98.15 11.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 28.5 t -101.23 135.25 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.002 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.74 140.21 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.48 143.29 47.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.7 pp -134.85 147.91 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.41 -165.53 22.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -122.0 -178.09 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.66 164.41 31.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -135.99 143.11 44.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -105.49 113.99 27.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 159.83 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 5.8 mp -83.12 142.3 31.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -140.74 119.09 12.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.842 0.353 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -128.6 -52.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -147.46 138.38 23.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.99 115.95 18.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.58 5.14 34.27 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.818 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.04 126.9 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -89.93 121.03 31.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 22.0 mt -133.29 142.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.414 ' CG1' ' CE1' ' A' ' 49' ' ' PHE . 3.7 mp -106.22 135.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.59 102.07 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.57 -168.46 44.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.79 165.69 17.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.581 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CG ' ' HG ' ' A' ' 45' ' ' LEU . 11.2 t80 -162.79 157.29 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.65 162.92 27.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.4 p -82.16 79.06 8.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.3 m -76.79 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.68 146.23 35.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.78 135.56 57.38 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.529 2.153 . . . . 0.0 112.27 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -160.43 30.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.18 -31.4 49.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 t -161.41 129.46 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 m -137.95 104.54 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.7 p -108.57 -27.42 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 44.83 44.12 7.5 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 mt -103.69 -51.99 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -118.7 31.04 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.523 ' HG ' ' N ' ' A' ' 28' ' ' ASP . 8.2 tp -121.12 160.57 23.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.523 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 3.0 p30 -137.59 130.49 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.06 -152.52 9.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.01 154.98 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -144.76 142.37 29.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -102.11 30.69 4.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 64.17 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.2 66.74 3.58 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -94.19 -51.92 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.13 85.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.8 -179.7 3.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.8 p -110.35 166.17 11.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -122.89 -43.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -117.44 127.15 53.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 m -130.38 -61.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -165.71 137.67 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.08 -43.57 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.75 156.09 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HG ' ' CG ' ' A' ' 13' ' ' PHE . 7.7 mp -90.6 163.47 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.19 142.95 19.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 144.37 49.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.18 145.51 43.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' CG1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -123.39 108.93 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 t -102.85 149.11 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.296 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -123.16 92.23 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.01 131.41 48.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.427 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 15.5 t80 -117.98 162.84 17.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 55' ' ' ASP . . . -58.25 161.59 4.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.75 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.93 -61.05 0.36 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.012 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.77 40.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.603 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.7 m-90 -107.76 162.59 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.967 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.16 146.18 9.41 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.458 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.56 111.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.795 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.98 149.38 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.8 mp -130.66 129.47 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.728 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 t -95.12 135.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.276 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 130.05 2.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.36 168.97 14.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.207 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.53 147.91 97.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -68.44 156.14 66.66 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -162.11 33.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.33 -60.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.14 162.78 13.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.67 160.37 40.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.63 158.43 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.66 161.8 13.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.44 -30.58 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -89.99 52.53 2.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.85 -30.05 3.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.589 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 61.01 83.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.922 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.48 68.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.94 175.29 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.537 2.158 . . . . 0.0 112.328 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.18 169.23 29.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.419 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 60.3 87.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.02 98.38 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.98 -166.55 21.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 87.53 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.84 108.66 21.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.7 162.43 14.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 t0 60.91 68.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -72.78 163.09 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -152.48 117.37 5.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -167.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.24 112.21 19.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.765 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.01 160.13 33.67 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.484 2.123 . . . . 0.0 112.414 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.52 110.58 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.0 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -87.69 137.68 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.14 127.16 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.637 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.407 ' HA ' ' HA2' ' A' ' 115' ' ' GLY . 0.6 OUTLIER -132.56 134.41 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.234 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.94 124.48 33.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.56 137.02 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -136.69 144.15 43.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.663 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -117.05 83.27 14.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.28 -52.12 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.757 2.304 . . . . 0.0 112.504 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.5 ptt? -120.19 33.05 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.69 114.51 3.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.343 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.23 43.1 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.262 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 p -135.03 -170.41 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.768 0.318 . . . . 0.0 110.432 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.3 19.24 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.359 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 p -82.09 130.14 35.0 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 110.799 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.53 -62.95 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' A' ' 108' ' ' PHE . 12.7 p90 -70.94 119.76 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 107.14 17.81 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.168 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.94 153.18 58.12 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.445 2.097 . . . . 0.0 112.016 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -163.61 146.28 9.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.93 155.05 25.92 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.243 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.32 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.667 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.3 -178.89 3.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 95' ' ' LEU . . . -157.94 171.23 34.94 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.762 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.3 p -155.06 147.67 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -110.81 127.47 55.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -133.93 140.27 46.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.0 p -96.39 112.98 24.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.2 m -131.47 155.2 47.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -96.34 142.08 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -147.23 144.53 28.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -160.31 -55.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -169.0 -170.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.37 -31.9 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.79 132.55 53.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.49 177.8 8.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.2 -67.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -70.78 -35.75 72.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -72.13 -50.46 27.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -64.52 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.0 95.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -93.35 -31.34 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.27 27.82 47.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -127.82 152.99 47.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 p -95.59 -42.56 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.0 t -173.18 160.22 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.91 -44.96 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -75.07 -31.3 61.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.42 -71.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 63.54 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.02 41.41 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.954 0.407 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.48 128.58 33.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.731 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -128.84 134.93 48.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.43 151.69 19.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.35 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -174.55 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.007 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.03 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -136.33 157.18 23.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.873 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.06 116.84 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.3 mp -149.82 133.32 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.47 -144.89 7.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.617 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -146.16 129.39 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -96.69 113.99 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -104.0 85.67 2.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.394 . . . . 0.0 111.217 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.514 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -76.66 142.46 40.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.948 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -31.87 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.96 -0.43 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.803 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.54 -48.0 9.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -134.41 -36.87 0.87 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.14 -173.04 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.787 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.514 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.9 pp -116.81 170.53 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.82 129.33 51.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -120.53 122.78 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -137.68 117.13 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.65 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -156.18 176.04 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.452 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 32.7 m -96.84 116.62 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.74 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.4 110.21 22.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.47 128.46 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.81 163.96 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -83.18 167.14 18.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.088 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 7.4 tt -109.23 118.3 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.6 122.43 40.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 54.0 p -84.78 167.02 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.83 -46.5 0.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -124.67 -46.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.4 m 60.07 90.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 6.6 pt -85.64 156.24 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -100.48 143.18 30.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 118.27 -120.05 4.58 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.94 114.53 3.76 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.457 2.105 . . . . 0.0 112.298 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.5 t -85.0 -37.27 20.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -123.13 148.57 45.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.2 176.99 8.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 135.75 143.01 4.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.93 -57.14 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.17 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -165.39 35.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -103.13 101.72 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 4.5 p -140.98 162.77 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.54 109.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.29 100.61 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.36 105.78 15.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 11.1 m -102.0 -38.11 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -178.65 -39.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.5 p -168.03 136.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -77.1 141.08 66.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.33 95.41 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.446 2.097 . . . . 0.0 112.385 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -92.43 105.12 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 3.8 m -94.82 114.26 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -145.83 143.09 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.837 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.99 155.74 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 3.0 mp -120.28 147.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.02 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -147.47 -167.1 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.562 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.4 150.57 28.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -155.23 -157.01 8.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.437 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -137.97 146.64 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -105.07 135.27 46.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.55 139.78 53.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.13 160.6 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.54 34.9 4.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.773 0.321 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -128.02 80.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -156.09 -177.57 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.14 139.77 31.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' CE1' ' A' ' 7' ' ' PHE . . . 102.11 -1.98 51.18 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.756 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.94 150.37 29.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 5' ' ' GLY . 19.0 m-85 -119.01 115.45 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -124.9 128.18 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.414 HD13 ' CD2' ' A' ' 207' ' ' PHE . 1.9 mt -96.51 106.47 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.226 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.53 160.32 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.711 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 203' ' ' PHE . . . -149.92 -162.38 10.44 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.606 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 170.61 154.7 9.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.535 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -87.01 167.02 14.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.44 117.96 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.32 111.73 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.9 m -98.32 -33.91 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -155.28 161.11 30.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 146.01 57.92 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.53 2.153 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.12 -33.66 11.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -60.82 -53.65 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.74 157.55 29.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 m -90.04 132.33 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.63 154.66 33.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -130.2 172.86 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 pp -134.2 -42.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.303 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.7 tttt -109.26 132.5 54.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.911 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 61.1 157.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -66.14 144.81 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.46 133.2 11.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.437 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.55 93.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -117.65 43.36 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -165.6 -41.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 145.6 1.46 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.53 144.26 45.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.643 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.54 33.91 23.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 111.029 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -141.79 101.75 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.2 160.87 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 p -95.19 130.82 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 m -146.84 30.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.88 171.51 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -121.32 97.66 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.44 86.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.4 m -133.98 23.16 3.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.087 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.76 155.07 17.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -116.04 -178.39 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.03 143.12 30.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.0 144.96 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.278 . . . . 0.0 110.734 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 70.3 p -140.3 157.88 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.5 120.32 38.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.85 127.4 53.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -109.93 86.49 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.75 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.99 130.43 46.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -113.73 -176.46 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.14 153.42 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.066 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.9 -61.56 0.49 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.824 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 0.3 OUTLIER 164.61 39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.968 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.43 ' CE2' ' HB3' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -83.82 -174.86 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.632 179.778 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 121.42 0.57 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.597 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.401 ' CG1' ' CD2' ' A' ' 94' ' ' LEU . 22.1 t -101.72 111.75 32.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.854 0.359 . . . . 0.0 110.671 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.22 140.86 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 48' ' ' THR . 0.9 OUTLIER -127.29 132.72 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.641 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.32 125.53 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.264 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.15 131.08 2.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -138.11 127.79 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 111.216 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -142.15 131.38 12.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.807 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.35 108.09 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.367 2.045 . . . . 0.0 112.168 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.15 145.81 36.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -159.25 101.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -113.46 141.13 47.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.87 -40.14 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.1 m -131.3 179.04 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.48 135.13 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -59.07 158.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.02 36.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.54 -159.11 11.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt -112.16 153.57 26.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -100.04 97.28 1.74 Allowed Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.17 102.64 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.541 2.161 . . . . 0.0 112.307 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.73 -179.17 28.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tp -139.37 104.68 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 0.0 110.825 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -131.17 176.46 8.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.44 175.41 19.31 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.409 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.93 144.28 26.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 tp 60.81 79.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.27 -52.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.62 35.87 2.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.5 pt -80.73 136.03 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.59 -33.58 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.0 tp60 -166.7 76.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -169.61 126.67 0.79 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.78 170.1 20.4 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.463 2.109 . . . . 0.0 112.273 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.27 104.95 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.1 m -101.72 146.15 28.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' CD2' ' CG1' ' A' ' 59' ' ' VAL . 0.1 OUTLIER -124.79 148.13 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.407 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 4.5 tt -159.2 123.95 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.38 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.96 115.71 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.392 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -101.97 149.96 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 57' ' ' TRP . 25.8 p90 -150.09 138.61 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.605 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 36.0 p90 -49.2 106.55 0.64 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.06 -47.36 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.397 2.065 . . . . 0.0 112.23 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 26.3 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.98 117.71 5.76 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.16 44.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.246 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -170.58 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.612 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -84.47 19.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.448 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 52.9 p -79.04 135.98 37.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.842 0.353 . . . . 0.0 110.807 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.83 -32.65 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 106' ' ' SER . 24.6 p90 -73.22 151.7 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -100.53 96.98 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.04 137.47 41.06 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.451 2.101 . . . . 0.0 112.235 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.79 138.02 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.86 150.3 22.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.386 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.83 -164.85 36.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.744 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.56 179.31 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.718 0.294 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.407 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -179.2 -164.98 32.72 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.69 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 33.1 t -113.32 154.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.773 0.32 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -120.91 128.57 52.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.86 104.13 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.6 t -136.31 149.97 48.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.9 p -104.85 161.98 13.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -128.33 135.27 49.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.23 158.5 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.49 143.01 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -92.43 130.21 38.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.85 -44.42 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.04 -66.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.65 177.64 8.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 45.2 m -98.69 -178.67 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -144.34 176.21 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -70.51 -51.08 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -62.99 -30.78 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.86 -14.54 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.42 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -95.91 29.98 2.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.759 0.314 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.99 30.77 70.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.557 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -118.02 102.39 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -100.54 -58.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.28 149.37 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.2 mmt -146.85 -60.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -147.79 -47.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.44 ' N ' ' CD2' ' A' ' 140' ' ' LEU . 2.5 mm? -84.43 172.15 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.776 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -75.65 -77.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -153.38 -68.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.967 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 54.8 p -172.04 131.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 41.7 p90 -159.01 172.54 18.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -164.37 -172.47 31.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.81 122.36 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 156.51 17.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.08 138.27 10.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.719 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -134.69 116.86 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.6 mt -144.68 130.97 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 173.49 -145.02 8.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.69 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -142.2 169.48 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.28 115.16 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -104.74 85.66 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.144 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.522 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 7.4 ptt? -65.61 148.35 51.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.87 -36.98 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.9 t30 78.66 -2.51 2.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.724 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.32 -48.08 9.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.097 0.475 . . . . 0.0 110.473 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.81 -36.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.701 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -164.77 -172.95 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.631 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.522 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.9 pp -116.94 166.77 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.974 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.45 137.21 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 111.009 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.73 111.23 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.9 ttp -128.75 138.28 52.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.8 176.96 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.414 ' CG1' ' CE1' ' A' ' 199' ' ' TYR . 35.2 m -96.92 117.7 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -92.72 110.51 21.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.46 128.31 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -68.89 148.56 50.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -63.4 164.83 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.0 pt -132.03 120.31 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.62 140.3 29.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 34.6 p -94.27 111.08 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.96 31.04 4.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -72.57 88.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.05 -51.94 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.93 127.61 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -64.69 118.51 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 110.12 93.56 2.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.69 148.81 15.08 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.321 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 3.5 t -59.33 125.73 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -112.91 -75.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.5 tt 63.57 137.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -152.68 136.14 5.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.661 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.55 58.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.391 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.05 -32.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 73.07 86.13 0.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.73 172.33 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.844 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -97.73 38.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.7 m -128.85 108.62 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -113.06 37.72 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.69 153.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.13 129.52 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 10.9 p -119.54 149.61 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.97 116.9 67.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.36 -171.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.449 2.1 . . . . 0.0 112.182 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 7.0 m95 61.43 108.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 31.5 m -121.23 135.79 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.414 ' CE1' ' CG1' ' A' ' 166' ' ' VAL . 6.5 m-85 -124.32 144.91 49.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.88 128.27 40.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mt -105.07 144.45 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -157.99 -167.76 19.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.653 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . 0.419 ' CZ ' ' HA3' ' A' ' 11' ' ' GLY . 42.2 p90 -121.94 176.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -159.86 171.91 36.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.623 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -155.26 153.13 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.46 129.8 55.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . 0.414 ' CD2' HD13 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -82.9 133.83 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 12.4 mt -117.23 147.87 42.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.88 119.66 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 25.2 m80 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.933 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.79 0.329 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 60.7 79.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -163.77 165.7 22.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.76 116.6 14.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.409 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 106.7 5.25 36.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.839 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.66 123.68 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.23 109.45 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mp -131.9 117.62 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.37 132.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.03 164.49 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.33 138.31 2.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.63 -170.94 27.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.55 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -66.47 155.5 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.84 164.28 38.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.89 79.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.047 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.4 m -88.85 173.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.7 139.61 31.37 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.43 159.73 5.86 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.473 2.116 . . . . 0.0 112.254 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -174.33 36.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.14 -31.18 30.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.37 114.73 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -92.1 -177.62 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 p -163.56 142.88 8.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.81 30.81 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.16 -45.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 mtpp 71.76 132.53 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.005 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.37 80.66 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.786 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -128.1 158.43 38.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.09 75.24 1.76 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.23 165.28 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.5 -44.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -109.44 148.18 31.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 66.08 -72.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.08 135.87 4.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 t -77.62 147.65 35.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -101.01 45.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.42 154.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 m -102.02 131.77 48.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.9 p -128.54 -45.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.55 114.38 9.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 m -149.04 94.97 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -149.01 153.48 37.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -126.57 -46.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -117.23 134.47 54.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mt -116.48 154.19 30.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.58 142.53 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mp -122.18 151.05 41.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.39 143.3 26.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -113.73 117.39 31.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.682 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.4 m -107.89 131.21 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 7.1 t80 -122.85 90.37 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 134.96 56.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -121.22 156.11 33.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -59.28 154.53 16.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.639 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 6.4 m-20 83.8 -60.84 0.11 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.312 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 159.79 43.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 30.2 m95 -127.92 -175.31 3.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.497 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.09 176.18 34.86 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.825 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.46 150.9 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.706 0.288 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -138.6 118.92 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.16 138.02 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.51 126.83 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.39 155.26 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.92 168.16 18.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 t -77.56 144.18 69.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.784 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.37 100.96 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.52 2.147 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -170.08 154.08 4.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -148.53 177.05 9.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -121.29 37.48 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.1 93.67 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.77 -36.34 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.73 102.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.8 t -102.41 31.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -108.43 -46.48 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.09 151.44 6.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.557 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.71 172.36 17.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.17 150.23 16.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.431 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.08 174.82 9.22 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.52 53.84 0.8 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mp 64.23 -79.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.17 144.22 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.817 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.65 146.34 17.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -135.36 -47.94 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.5 -171.08 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.01 -70.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -95.66 -69.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.946 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.452 ' O ' HG13 ' A' ' 87' ' ' ILE . 5.3 tp 44.2 43.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.09 0.472 . . . . 0.0 111.507 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.7 -61.45 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -130.87 86.57 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.82 144.75 56.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.68 125.91 10.39 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.469 2.113 . . . . 0.0 112.406 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -159.08 146.99 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -119.81 135.23 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mp -128.17 124.01 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.1 154.61 49.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.42 150.79 19.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -101.75 144.74 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 57.5 t80 -150.0 125.51 10.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.435 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.2 p90 -132.58 90.26 33.65 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.796 0.331 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.451 ' HD3' ' CD2' ' A' ' 98' ' ' TYR . 72.3 Cg_endo -77.13 -44.3 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.676 2.251 . . . . 0.0 112.258 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 73.0 mtm -102.84 28.44 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.14 131.89 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.71 43.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.214 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 -170.43 3.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -83.36 19.19 1.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.539 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -61.44 153.77 26.2 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.41 -52.83 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -96.7 146.71 24.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.75 87.6 22.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.3 148.8 68.85 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.507 2.138 . . . . 0.0 112.264 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.76 137.97 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.15 146.05 16.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.386 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.01 159.58 24.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.752 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.42 123.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.703 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.65 -164.83 17.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.559 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.8 m -115.78 159.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -130.86 126.9 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 118' ' ' TYR . 3.3 p90 -133.02 112.18 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.2 p -137.21 128.48 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.2 t -114.19 113.62 24.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -121.24 139.19 53.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -154.19 133.82 12.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -143.66 118.46 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -101.18 148.7 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.26 27.06 4.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 mt 59.86 90.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -99.58 135.39 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.75 32.69 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.986 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -143.59 -54.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -69.48 -39.87 77.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -68.24 -31.23 70.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.18 75.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -31.81 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.85 15.88 76.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.731 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -135.01 99.23 4.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -95.62 -57.03 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.41 175.89 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 49.8 mtp -128.1 31.44 5.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.42 115.27 5.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.28 139.56 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -83.9 117.55 23.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.46 83.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.61 134.96 16.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 30.0 p90 -109.41 141.48 41.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -88.97 173.27 41.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.408 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.04 132.75 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -117.31 151.55 36.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.52 156.16 27.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.18 136.14 18.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.5 tt -145.78 126.74 14.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -168.05 -144.99 4.37 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.88 152.47 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -121.42 122.9 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.696 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.438 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 41.9 t80 -106.52 85.16 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.001 0.429 . . . . 0.0 111.217 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.53 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.5 ptt? -66.51 140.36 57.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.828 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.28 -36.96 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.42 -4.27 2.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -85.37 -48.01 9.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.034 0.445 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -134.55 -35.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -165.63 -172.91 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 1.7 mt -117.0 169.3 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.438 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -113.21 138.87 49.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -131.73 110.33 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 87.8 mtp -130.75 126.89 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -163.86 164.54 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 23.6 t -97.02 122.6 48.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.989 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.44 ' CE3' ' CB ' ' A' ' 200' ' ' MET . 0.9 OUTLIER -89.93 149.14 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -130.38 101.86 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.3 mtp -99.11 133.74 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -130.91 132.78 45.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 15.0 pt -132.76 130.25 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.35 119.11 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 75.3 p -90.93 136.27 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 68.81 -66.71 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 61.39 96.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 90.9 p -83.38 -178.47 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 29.3 mm -123.05 147.05 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -93.51 129.59 39.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -151.44 -178.45 26.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.49 143.26 45.71 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.563 2.175 . . . . 0.0 112.32 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.5 m 60.94 32.67 19.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -90.01 168.8 11.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.93 159.05 42.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 162.72 101.36 0.16 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 15.9 m -139.39 92.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 111.145 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.12 74.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -140.32 163.88 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.6 m 60.33 89.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -106.98 122.34 46.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -162.68 112.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -107.18 -35.88 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.91 164.74 22.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.3 -58.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 10.9 p -135.53 53.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -165.91 70.76 1.24 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.91 -61.83 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.591 2.194 . . . . 0.0 112.326 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -103.77 108.43 19.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 6.8 m -88.25 106.25 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -146.13 141.18 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' MET . . . . . 0.44 ' CB ' ' CE3' ' A' ' 167' ' ' TRP . 3.3 tpt -130.43 123.53 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.9 tt -127.36 146.47 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.94 20.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -122.48 -178.78 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.63 148.22 19.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -136.54 138.96 41.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.312 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -109.02 141.04 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.86 145.59 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.2 tt -128.61 122.13 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -150.89 157.62 43.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 47.9 m80 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.898 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.811 0.339 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -110.32 72.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.41 -173.1 2.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.01 148.84 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.89 -2.06 66.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.749 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.56 141.76 54.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -108.2 121.51 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.8 pt -144.62 144.81 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -113.96 145.67 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.249 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 mmt85 -131.39 112.56 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.92 -178.79 35.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.401 ' HA2' ' CA ' ' A' ' 202' ' ' GLY . . . 165.99 152.86 7.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.688 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -56.79 144.77 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.36 48.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.8 m 57.88 106.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 p -170.15 146.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -124.65 113.68 27.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.5 173.12 9.31 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.497 2.131 . . . . 0.0 112.392 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.58 32.18 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.048 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.78 -45.72 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 p -84.59 67.84 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.61 134.85 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -166.41 102.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.25 143.08 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.9 mt 63.93 88.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -115.04 82.21 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.75 145.4 47.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -75.75 -38.08 58.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.96 71.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.25 113.51 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 31.39 3.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -128.57 150.32 50.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -41.89 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.17 80.76 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.5 m -92.14 128.2 37.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -127.53 -45.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.09 31.16 19.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 m -164.0 155.13 15.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 m -141.01 -47.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -94.66 97.77 10.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -76.46 90.12 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.81 149.32 22.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -121.95 -56.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -129.42 137.23 50.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.19 157.1 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.14 154.1 45.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.16 134.33 55.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.73 136.07 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -101.04 116.04 31.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.2 146.03 31.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.34 107.04 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.703 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.6 mtt -69.75 127.89 34.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -118.28 165.44 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.92 154.03 19.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.793 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.8 OUTLIER 79.4 -61.41 0.32 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.904 179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 162.37 44.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.958 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -102.51 144.8 30.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.196 -179.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.35 125.35 2.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.254 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -101.77 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.47 139.69 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.81 107.62 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.382 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.3 m -90.78 119.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 111.455 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.18 -175.32 3.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.32 166.13 23.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.973 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -60.78 135.71 92.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.69 145.65 37.28 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.476 2.117 . . . . 0.0 112.333 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.66 134.84 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.46 136.59 55.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.09 96.41 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.88 -64.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.28 146.53 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -175.67 -48.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.9 m -114.42 142.95 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -115.98 -38.99 3.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.59 110.38 1.48 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.88 159.44 19.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.788 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.97 96.71 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.85 145.79 69.81 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.506 2.137 . . . . 0.0 112.372 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.64 -54.26 0.76 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -87.63 -37.82 16.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.09 157.91 16.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.61 107.07 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -65.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.58 160.12 42.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.79 150.02 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -115.59 25.98 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mp -142.08 116.83 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 25.91 7.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.68 173.42 7.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.567 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.443 ' CB ' ' CD ' ' A' ' 91' ' ' PRO . 12.8 mt -159.52 -65.43 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.344 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.443 ' CD ' ' CB ' ' A' ' 90' ' ' LEU . 38.5 Cg_endo -66.47 167.85 17.8 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.363 2.042 . . . . 0.0 112.533 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.0 148.81 22.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 86.9 m -132.54 143.81 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 94' ' ' LEU . 3.6 mp -115.64 143.13 45.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.408 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -149.46 142.95 25.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.153 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.425 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 58.2 mt -118.53 111.15 18.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.244 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.82 153.18 20.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.422 . . . . 0.0 111.107 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.512 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 19.9 m-85 -122.59 140.36 52.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.752 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.417 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 p90 -123.77 87.3 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.35 -51.74 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.415 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.36 -27.05 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.55 118.44 14.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.377 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.66 44.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.202 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.2 t -144.48 -170.38 3.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 110.667 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.07 19.11 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.54 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 6.6 t -86.64 153.95 21.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.781 0.324 . . . . 0.0 110.816 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.22 -30.33 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -77.37 131.48 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -128.34 90.35 47.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.19 146.5 57.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.611 2.208 . . . . 0.0 112.372 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.79 137.99 28.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.67 136.65 5.48 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 96' ' ' LEU . . . -179.15 -164.78 32.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.996 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -133.57 -178.82 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 110.897 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.99 -164.89 32.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.715 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.39 143.82 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -108.91 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -106.36 128.16 53.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.36 104.05 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 46.2 m -116.84 128.3 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -126.79 134.75 50.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -91.04 -173.61 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.35 163.58 25.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -81.77 150.83 27.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.81 -42.49 13.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.56 -47.2 42.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.03 166.12 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 61.8 m 60.44 161.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.94 -51.1 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -64.71 -39.2 93.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -75.57 -25.87 57.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.24 -1.64 37.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.683 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -91.34 30.05 1.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.645 0.26 . . . . 0.0 111.4 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.76 44.93 3.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.598 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -135.0 83.3 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -52.64 4.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.96 164.29 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.5 ttm -110.56 25.06 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 -71.73 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.24 -178.61 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -130.45 -174.02 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -57.44 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.65 171.08 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 42.0 p90 -134.45 161.76 34.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.44 163.84 21.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.04 140.76 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.1 151.88 33.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -152.68 148.23 18.84 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.452 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -145.74 121.41 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.23 118.74 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -175.29 -144.91 5.2 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.625 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -150.53 149.4 29.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.092 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.51 114.95 29.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.705 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -99.02 85.69 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.559 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.1 ptp -71.11 144.61 50.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.66 -34.45 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 t30 77.26 -0.94 2.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -85.44 -48.09 9.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 110.525 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -136.75 -35.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.48 -172.81 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.559 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.6 pp -116.95 168.77 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.748 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.76 142.99 47.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 111.108 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -125.6 117.44 23.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.64 128.52 42.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.5 175.02 8.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.89 126.21 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -99.31 136.71 38.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -129.11 139.42 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.0 112.34 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.086 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.01 90.93 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 34.3 pt -79.42 133.26 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.45 97.13 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.5 t -152.42 164.05 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 178.81 6.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.791 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -103.26 155.91 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 67.9 m -60.0 104.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 21.7 mt -74.36 -30.99 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.5 115.12 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 74.55 74.15 0.88 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.39 -171.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.518 2.145 . . . . 0.0 112.324 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 9.0 t -106.73 -32.66 7.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -143.77 -178.17 5.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.1 141.88 39.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -175.16 -166.72 33.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.538 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 12.3 p -128.38 -44.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.111 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 61.5 t-20 -62.18 115.61 4.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.32 -38.63 3.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 5.7 t -72.7 151.1 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.59 98.11 5.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.797 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.99 -53.33 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -64.72 91.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.71 104.22 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.03 106.99 11.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.9 p -132.09 55.57 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -152.31 81.71 5.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.12 93.05 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.509 2.139 . . . . 0.0 112.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' A' ' 197' ' ' TRP . 0.0 OUTLIER -98.77 47.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 m -95.38 164.78 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -137.64 154.07 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 4.0 tpt -114.03 127.52 55.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.2 tt -147.09 114.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . 0.401 ' CA ' ' HA2' ' A' ' 12' ' ' GLY . . . -143.33 -167.15 11.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.68 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -160.48 131.56 5.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.195 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -144.31 -156.99 7.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.48 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -158.93 143.71 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.52 140.99 28.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.04 154.73 27.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.9 tp -135.16 148.94 49.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.31 -46.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.929 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -117.29 94.37 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.808 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.11 -168.91 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.08 45.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.42 1.66 50.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.83 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 122.76 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.772 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.21 120.36 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.22 124.16 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.064 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 tt -99.55 150.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -135.38 149.38 49.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.75 138.73 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.838 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -146.9 167.3 28.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.561 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -83.86 125.56 32.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 104.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 p -65.77 155.13 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.3 m -144.66 133.67 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.8 100.48 9.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.97 167.55 21.29 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.292 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 61.54 43.75 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -99.28 -49.65 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -147.69 -58.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.3 m 63.12 -79.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.57 174.32 9.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.25 -177.77 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 tp -63.4 -33.17 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -92.07 109.91 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -43.27 15.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.79 150.28 47.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.64 -114.2 0.74 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.14 -45.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 tptm 61.59 33.31 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.36 87.19 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -91.99 -51.65 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.67 -40.41 1.72 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.56 90.9 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -133.56 149.53 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.82 97.58 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 p -138.62 128.95 25.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.14 -46.66 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 179.41 -43.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.73 -36.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 73.47 96.8 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.96 23.03 5.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.983 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -84.3 129.71 34.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' A' ' 12' ' ' GLY . 9.2 tt -72.56 128.55 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.34 137.39 13.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.551 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.03 128.54 56.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.345 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.7 m -133.06 136.73 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -101.52 128.95 47.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.504 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -127.64 113.79 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.211 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.413 ' O ' ' CA ' ' A' ' 58' ' ' GLY . 5.6 t80 -86.74 120.62 28.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.343 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.34 116.64 17.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.516 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -102.67 168.87 8.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.9 150.23 2.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 74.29 -62.99 0.44 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 10.4 mttt 164.37 37.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.104 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.435 ' CD1' ' HB3' ' A' ' 98' ' ' TYR . 4.3 t90 -99.4 179.02 4.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.701 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' CA ' ' O ' ' A' ' 51' ' ' TYR . . . 166.19 165.18 23.12 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.405 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.53 112.2 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.79 131.39 42.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.083 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.2 tt -137.13 109.1 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.714 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.3 p -90.95 146.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.42 134.87 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.89 174.48 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.6 m -90.04 136.69 28.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.66 -168.13 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.457 2.105 . . . . 0.0 112.314 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -68.28 -54.9 14.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 59.31 105.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -165.78 122.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -107.39 169.1 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t 60.18 42.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -127.39 -55.86 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.84 136.4 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.79 -35.81 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.62 -154.55 24.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.2 mp -146.12 148.02 32.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.44 142.05 13.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.3 -39.74 1.46 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.555 2.17 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.53 28.08 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.65 140.76 37.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.89 106.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.72 85.26 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -128.78 121.52 28.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.3 mt -137.59 94.51 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.34 31.63 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.78 116.78 15.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.8 tt -82.3 144.72 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -88.58 -35.62 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 61.73 88.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -127.84 83.16 66.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.03 145.03 34.85 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.614 2.209 . . . . 0.0 112.422 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.82 139.62 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 87.0 m -135.23 130.74 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.4 tt -126.42 154.96 42.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 pp -162.97 149.23 12.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' A' ' 96' ' ' LEU . 6.3 mp -96.78 124.58 40.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -107.18 125.3 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 40.7 p90 -131.4 137.76 48.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.558 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 38.8 p90 -56.33 106.41 0.67 Allowed Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.52 -52.23 0.28 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 111.92 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -121.93 -26.28 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.1 152.11 5.35 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.843 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.06 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.281 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p -152.46 -170.66 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.5 19.15 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.593 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.0 p -63.55 161.4 14.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.57 -57.9 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -70.98 153.21 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -113.58 90.91 19.03 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 111' ' ' TYR . 31.8 Cg_exo -58.24 161.85 13.02 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.598 2.199 . . . . 0.0 112.341 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 12.2 m-85 -166.18 138.01 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -151.96 157.85 27.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.33 -166.74 39.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.02 172.21 16.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.17 -164.93 28.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.23 140.0 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -107.1 137.84 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.03 104.23 4.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.3 p -137.15 127.04 25.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 61.4 m -110.5 136.42 49.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -139.31 137.82 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.69 148.1 15.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -176.26 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.25 151.08 23.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -96.45 -30.53 13.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.44 -66.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.49 165.18 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.219 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.5 t -79.04 -33.74 44.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -140.66 152.71 45.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -27.95 67.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.54 -38.14 71.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.163 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -97.07 -30.35 13.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.77 24.61 45.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -135.11 132.94 38.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -36.67 40.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.84 175.99 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 29.6 mtp -68.21 -75.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.17 30.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.762 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.62 150.47 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.82 -45.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.14 76.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.5 t -137.94 127.37 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 38.5 p90 -105.39 176.78 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.39 161.53 25.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.73 115.34 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 167.2 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -147.46 160.83 28.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.596 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -153.87 116.93 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.786 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.9 mp -143.92 133.5 23.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.28 -145.08 8.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -147.01 145.77 29.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.77 114.36 28.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -97.13 85.74 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.488 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.2 OUTLIER -65.08 153.11 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.01 -41.33 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 78.81 -5.61 2.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.725 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.48 -42.74 14.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 110.551 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -143.05 -35.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.28 -172.98 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.488 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.0 mp -117.03 173.13 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.19 145.87 42.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -137.6 107.98 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -125.81 126.18 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -161.32 176.44 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 13.9 p -97.01 120.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -89.96 116.41 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.08 116.1 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.95 160.22 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -63.7 166.95 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 25.8 mm -123.42 123.23 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -103.73 144.58 31.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 11.2 m -124.97 125.96 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -158.19 96.86 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -164.7 112.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.064 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 83.2 p -140.43 39.47 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.415 HG22 HD12 ' A' ' 177' ' ' ILE . 30.1 mm -114.5 143.52 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -92.13 145.25 24.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 159.4 149.28 5.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.36 63.26 2.79 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.614 2.209 . . . . 0.0 112.223 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 21.8 m -78.03 -45.0 24.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 60.42 158.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.33 133.98 14.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 144.87 -31.24 1.77 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 30.8 m -86.65 145.68 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -126.83 -48.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 20.8 pttt -173.31 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -167.63 72.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.31 -177.24 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.96 100.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -75.92 100.24 4.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.4 p -78.27 116.62 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -112.47 -34.84 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.6 97.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.063 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.72 166.44 12.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 94.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.629 2.219 . . . . 0.0 112.325 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -84.58 164.57 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.75 135.49 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.26 148.57 29.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 143.73 51.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 42.1 pt -138.46 151.18 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.12 -163.35 21.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -121.99 171.12 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.45 163.99 29.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.544 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.93 139.19 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 135.09 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -105.23 156.62 17.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.17 144.04 26.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.17 -176.68 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -141.46 32.53 1.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -128.54 -167.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.98 125.8 32.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.71 2.3 27.23 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.82 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.6 148.75 46.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.783 0.325 . . . . 0.0 110.87 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -121.45 112.52 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 mp -115.97 130.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 tt -101.67 138.06 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.1 157.18 44.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.81 142.05 3.4 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.62 170.93 24.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -149.93 -177.5 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.797 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.96 169.27 14.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 t -63.81 -25.62 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.424 HG11 ' O ' ' A' ' 16' ' ' VAL . 3.1 p 43.32 94.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.032 0.444 . . . . 0.0 111.628 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.84 123.88 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.94 153.12 63.64 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.45 2.1 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -148.65 31.43 0.8 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -72.2 -37.15 69.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.58 31.77 20.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -72.54 171.14 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.65 167.67 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -125.2 78.95 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 pt -105.75 31.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -116.39 89.51 3.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.649 ' HG ' ' H ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -91.6 -49.41 6.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.649 ' H ' ' HG ' ' A' ' 27' ' ' LEU . 1.6 p30 -96.66 138.87 33.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.27 81.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.62 115.47 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.41 148.01 51.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -74.3 -40.51 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -66.91 -57.71 6.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.03 -113.68 4.66 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 69.16 -66.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.08 34.52 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.39 110.04 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.8 t -95.68 -40.09 9.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.9 t 60.46 31.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.045 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.99 31.5 4.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.49 97.87 9.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.36 106.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 t -110.39 23.01 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.85 140.61 50.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 pp -121.65 -178.02 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.31 152.3 20.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.86 145.07 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 72.9 p -140.23 159.89 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 3.9 m-85 -125.27 116.47 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -96.59 146.46 24.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.41 90.39 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.3 tpt -60.67 127.03 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.406 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -112.58 178.68 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.63 153.06 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.863 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 78.54 -61.78 0.35 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.706 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 162.68 39.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.635 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.442 ' CD1' ' CD2' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -88.87 169.84 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.716 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.92 119.98 0.75 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.14 111.86 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -104.19 134.73 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tt -114.47 138.09 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.747 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.0 133.12 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.05 128.15 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.26 179.97 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -81.37 144.12 53.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.69 -62.44 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.548 2.165 . . . . 0.0 112.349 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -104.05 -179.77 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.04 147.65 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 33.12 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -97.95 -59.75 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.6 t -127.68 104.34 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.22 164.87 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -74.57 137.77 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.037 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.21 42.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.13 144.85 4.65 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.529 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 59.93 104.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.66 166.03 31.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -41.56 4.31 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.517 2.144 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.4 -93.91 0.1 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 tt -127.22 114.07 17.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -86.62 117.82 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -116.6 -92.31 1.69 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.19 168.82 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.8 150.08 52.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.89 91.04 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.02 141.9 33.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.62 -57.99 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -171.64 90.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -122.95 31.01 6.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.96 140.55 29.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.63 141.13 40.97 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.421 2.081 . . . . 0.0 112.241 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -134.65 135.73 42.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 33.5 m -132.35 126.13 32.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.2 mp -113.0 138.04 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -150.91 142.21 23.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.025 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 ' CD2' ' CD1' ' A' ' 57' ' ' TRP . 1.7 tt -112.92 119.71 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.466 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 1.1 pt20 -117.15 154.16 31.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.008 0.432 . . . . 0.0 111.148 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -115.86 144.54 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.815 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.36 97.11 6.9 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.46 -38.12 11.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.436 2.09 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -120.65 32.72 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -111.39 100.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.82 44.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.88 -170.73 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.575 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.08 19.19 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.418 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.1 m -70.02 -177.92 1.47 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.03 -57.3 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -83.94 137.98 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -117.09 94.09 43.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.65 141.47 27.79 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -151.52 153.02 33.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.468 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -160.05 156.84 28.1 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.034 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.466 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . 175.25 -164.82 35.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.652 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -179.02 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 177.83 -172.29 44.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.4 m -116.51 150.77 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -131.33 126.09 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.447 ' CE1' ' CH2' ' A' ' 144' ' ' TRP . 69.6 t80 -143.0 112.06 6.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.76 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.4 t -118.63 137.4 53.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.4 t -118.84 106.06 12.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.09 156.66 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.45 132.86 35.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.91 -39.67 94.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -142.99 111.09 6.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -84.35 -44.95 13.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.05 90.74 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -77.76 121.53 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.071 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.8 -39.29 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -140.07 119.38 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -69.76 -30.26 67.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -21.77 46.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -53.75 -41.97 67.69 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.817 0.341 . . . . 0.0 111.356 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -94.4 -32.59 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.05 41.96 96.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -93.53 96.86 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -35.92 25.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.0 m -102.46 133.67 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.1 mmt -64.77 166.42 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -106.96 177.41 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.98 136.6 54.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -88.37 92.4 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -143.59 84.25 1.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.0 m -145.81 90.97 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . 0.447 ' CH2' ' CE1' ' A' ' 118' ' ' TYR . 1.8 m-90 -106.95 127.29 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.741 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -120.74 171.57 14.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.537 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.54 126.55 42.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -109.34 162.99 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -156.87 170.28 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.574 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.09 132.86 10.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.9 mt -150.74 127.48 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 171.87 -144.93 8.38 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.608 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -160.94 156.92 25.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -109.96 114.61 28.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 29.1 p90 -105.53 94.66 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.466 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 7.3 ptt? -77.23 147.28 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 11.0 mp -89.85 -21.73 22.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.581 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 14.8 m-80 68.24 5.86 4.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -48.65 8.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.11 0.481 . . . . 0.0 110.477 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.66 -33.86 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.42 -172.22 4.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.828 0.347 . . . . 0.0 111.352 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.8 mp -116.0 163.47 15.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.3 130.77 56.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.915 0.388 . . . . 0.0 111.177 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.73 136.97 49.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.65 127.8 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.49 169.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 33.6 m -96.89 120.72 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.97 112.61 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -77.9 111.65 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 44.8 mmm -68.84 162.67 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.42 166.91 13.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.34 102.91 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.25 119.8 32.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.9 t -115.92 139.08 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -173.79 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -109.39 -62.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.03 96.6 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . 0.482 HG21 HD13 ' A' ' 177' ' ' ILE . 27.5 mm -74.95 90.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -105.0 137.4 42.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 166.61 93.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.51 128.6 17.47 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.58 2.187 . . . . 0.0 112.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 23.5 t -144.47 144.85 31.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -140.03 -62.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 89.5 mt 60.63 40.58 16.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 64.1 -121.79 23.96 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.4 m -116.8 170.9 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -177.71 5.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -150.28 128.61 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 4.6 t -126.43 99.95 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.76 -49.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.43 141.02 18.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.31 141.81 45.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.89 129.75 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.087 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -114.8 137.66 51.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 15.6 m -112.85 178.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.2 89.29 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.49 166.27 26.26 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.537 2.158 . . . . 0.0 112.394 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 60.82 99.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.15 132.44 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.57 143.43 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tpt -116.95 133.67 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 11.7 tt -124.47 127.61 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.09 -158.86 8.14 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -122.02 167.7 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.82 167.29 30.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.635 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -147.02 134.25 20.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.813 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -88.07 133.52 33.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.11 152.86 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.14 133.04 54.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.93 146.15 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.93 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.339 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -147.74 63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 174.7 9.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.04 133.93 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.56 5.25 48.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.837 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.65 128.78 38.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.01 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -101.2 104.94 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.3 mm -119.58 124.02 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -94.99 125.04 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.81 161.17 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 140.36 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.234 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.6 179.29 35.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.688 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -96.75 130.48 43.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.43 -174.13 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m 63.61 141.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 p -108.74 159.34 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.026 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -56.8 130.35 78.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.26 167.43 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.412 2.075 . . . . 0.0 112.356 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 -64.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.32 -63.9 1.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 m 59.7 39.45 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.82 87.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.6 p -93.86 -54.86 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.05 157.65 18.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.3 pp -142.18 31.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 tttp -143.45 31.65 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mp -127.95 100.35 5.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -69.38 106.48 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.3 -145.9 11.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.6 -63.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -162.77 82.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -102.01 118.58 37.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.44 100.18 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.03 122.82 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 61.03 169.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.2 mtmt -99.0 31.97 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -169.44 133.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -109.89 88.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 t -143.27 35.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -79.33 135.24 36.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.7 m -109.97 -31.24 7.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.92 51.71 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 t -79.71 -31.39 41.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -63.86 176.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -98.22 171.63 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.46 146.0 18.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -118.48 144.9 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 97.6 m -145.57 130.08 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -90.67 114.74 27.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.7 m -100.21 145.88 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.01 104.09 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.41 135.14 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -127.05 159.37 34.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.66 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 55' ' ' ASP . . . -61.35 161.85 8.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 4.2 m-20 79.71 -58.94 0.36 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.81 39.15 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -101.78 140.93 35.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.159 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -148.5 120.01 1.14 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.481 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.47 117.29 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -125.26 118.65 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mt -115.05 119.71 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.441 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 24.0 t -90.82 138.3 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.394 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 -174.93 3.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.88 148.36 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -129.04 140.39 38.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.24 -2.55 12.76 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.519 2.146 . . . . 0.0 112.722 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.6 t80 63.63 77.27 0.33 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -155.55 169.62 23.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -130.36 123.98 31.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -171.44 139.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.4 m -153.23 126.3 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.069 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.05 175.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.75 176.89 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.02 -42.57 5.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.829 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.22 179.79 30.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.78 89.2 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.792 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -87.9 151.1 22.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.605 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.22 82.88 0.81 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.628 2.219 . . . . 0.0 112.282 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 155.9 -27.99 0.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -62.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -84.35 79.57 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -99.61 -115.34 3.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mttt 60.89 -174.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -106.11 -47.83 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.2 -53.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -140.31 151.41 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -131.73 113.3 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -168.6 81.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -113.42 80.75 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.55 121.25 1.36 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.11 172.69 13.44 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.385 2.057 . . . . 0.0 112.293 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -148.16 108.97 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 21.3 m -116.41 127.92 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.67 145.25 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 3.2 mp -142.21 121.2 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.441 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 1.9 mt -91.95 136.09 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.437 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 111' ' ' TYR . 2.4 mm-40 -116.88 140.73 49.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.95 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -128.73 124.57 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 12.8 p90 -134.37 84.78 39.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.04 -51.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 0.0 112.643 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -123.41 -27.24 4.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.322 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.55 -113.52 4.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.77 44.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.253 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.4 p -147.33 -170.7 3.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.283 . . . . 0.0 110.696 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -83.63 19.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.552 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 75.61 9.86 3.51 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.536 0.208 . . . . 0.0 111.304 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.48 -32.65 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.604 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.416 ' O ' ' HD3' ' A' ' 110' ' ' PRO . 32.6 m-85 -99.37 153.53 18.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.08 80.4 0.51 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' A' ' 152' ' ' PHE . 73.2 Cg_endo -73.95 156.1 47.88 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.623 2.215 . . . . 0.0 112.424 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CE1' ' OE1' ' A' ' 97' ' ' GLN . 5.8 p90 -163.29 146.19 10.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.43 139.75 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.305 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 96' ' ' LEU . . . -176.35 -164.65 30.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.715 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 mp -147.73 173.78 12.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 111.064 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -165.66 -164.83 21.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.415 HG12 ' CE2' ' A' ' 118' ' ' TYR . 20.8 t -121.18 139.53 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -121.82 113.98 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.415 ' CE2' HG12 ' A' ' 116' ' ' VAL . 14.0 m-85 -126.64 142.11 51.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 m -132.27 123.26 26.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.45 122.94 47.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.03 165.91 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.75 166.39 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.12 33.5 21.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.59 -31.11 24.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.15 -40.96 26.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.0 mt -143.41 122.03 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -99.74 121.82 41.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.5 t -114.74 -178.17 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -60.83 114.63 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.18 34.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -64.94 -37.33 87.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.99 -32.68 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.06 -31.45 72.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.19 33.45 5.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.39 107.09 18.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -30.3 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.6 t -93.87 150.0 20.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -164.88 35.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.41 66.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.86 32.08 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.51 160.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -140.73 30.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.6 m -163.8 127.98 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 5.0 p90 -142.89 127.84 18.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -179.23 -162.94 29.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.43 134.63 45.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.59 170.52 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.337 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -140.37 151.91 22.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -146.29 123.41 11.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -149.82 125.88 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.775 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -172.33 -147.85 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 110' ' ' PRO . 0.7 OUTLIER -145.68 148.78 33.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.42 134.83 47.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.998 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -128.22 85.77 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.676 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.509 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -80.11 153.06 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.306 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.3 -27.88 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 74.04 4.35 4.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.29 -48.09 9.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 0.0 110.6 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.36 -35.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.757 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.42 -172.93 3.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.509 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.98 169.15 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -110.72 144.52 39.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -140.72 114.13 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.8 ptm -133.75 145.8 50.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.471 ' HA ' ' HA3' ' A' ' 151' ' ' GLY . . . -169.05 178.58 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.87 130.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.899 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -106.89 136.65 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.49 137.44 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.497 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -148.65 105.54 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 111.071 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.07 105.42 7.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 5.6 tp -76.86 135.39 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.61 100.86 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.98 149.72 43.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.32 106.25 18.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -168.11 -46.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 37.9 t -62.01 -54.43 41.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 5.8 tt 43.61 37.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.573 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.74 114.92 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -142.45 -87.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.63 62.51 3.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.594 2.196 . . . . 0.0 112.293 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.47 89.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -119.16 31.53 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.3 mp 60.83 90.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -136.47 -44.57 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 31.3 m -59.93 -44.79 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 111.178 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 -90.05 -175.25 4.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -155.34 -69.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 12.7 m -142.4 40.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -30.7 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.26 127.3 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.88 120.12 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.96 134.43 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -90.87 145.55 24.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.36 144.79 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.7 137.0 24.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.71 110.61 3.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.521 2.148 . . . . 0.0 112.377 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 22.5 m0 60.01 174.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.79 121.35 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -125.52 142.47 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 6.5 ttp -125.86 149.24 48.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 23.6 pt -127.49 160.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -169.12 -166.1 27.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.413 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -126.26 175.96 7.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -163.3 174.73 39.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.667 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -134.93 127.53 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -109.19 141.01 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -71.11 110.33 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 11.0 tp -91.08 135.31 33.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -129.15 136.98 50.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.809 0.338 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -133.93 149.16 51.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 169.62 24.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.56 134.25 46.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.14 5.06 60.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.764 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.41 124.19 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -85.04 104.93 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -112.62 129.52 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.001 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.6 pt -101.1 116.99 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.53 153.42 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.99 -161.99 9.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.03 164.73 15.62 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -95.3 172.71 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.63 31.27 4.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -65.16 167.15 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.97 157.82 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.45 124.99 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.56 141.38 63.15 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.372 2.048 . . . . 0.0 112.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -31.2 33.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.7 -42.88 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -118.12 125.77 50.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.9 t -122.74 -47.75 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -143.78 -47.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -60.75 118.7 6.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.52 -28.72 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -158.42 128.46 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.55 140.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.75 167.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.33 -114.93 1.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.544 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.4 124.39 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.192 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -139.01 -47.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.62 -57.7 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.59 131.69 36.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.27 117.14 0.47 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -128.12 -52.46 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 171.5 13.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.81 154.72 22.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -119.79 103.27 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 m -95.78 -32.91 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -170.29 47.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -73.89 172.28 11.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -163.71 77.0 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.6 t -67.48 -46.93 71.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -136.94 124.96 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.9 165.1 11.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.12 147.63 19.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.65 141.48 47.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.598 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.7 p -148.68 139.26 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.93 167.1 14.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -154.33 113.53 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 111.435 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -93.27 85.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.079 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.7 ttm -62.3 121.31 12.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.634 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -98.82 127.63 44.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.26 94.78 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' ALA . 4.6 m-20 28.85 60.5 0.13 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.14 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.74 -36.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.487 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -157.54 -175.66 5.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.231 0.539 . . . . 0.0 111.72 -179.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.74 119.61 0.53 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.948 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 p -107.2 141.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.262 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.66 141.01 50.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.007 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.49 121.56 38.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.93 144.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.394 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.97 131.5 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.05 153.08 34.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 p -75.27 148.95 84.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.994 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.75 -168.56 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.654 2.236 . . . . 0.0 112.327 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.61 112.34 24.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -83.71 -173.25 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 60.47 32.63 20.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -103.89 -61.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -105.3 150.11 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -113.68 -47.53 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.57 105.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.19 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.74 157.54 47.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.33 177.71 8.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.745 0.307 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.77 85.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.26 99.94 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.634 2.223 . . . . 0.0 112.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.7 106.58 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.71 132.92 42.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.24 85.63 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.47 166.09 34.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -165.4 -44.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.5 108.1 11.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.23 -69.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -101.52 123.26 45.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.7 pt -109.08 95.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.29 -45.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.96 147.08 16.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.063 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp 62.06 145.97 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.48 167.6 1.32 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.508 2.139 . . . . 0.0 112.342 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.406 ' O ' ' CE1' ' A' ' 118' ' ' TYR . . . -152.89 109.93 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -108.8 126.62 53.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -128.48 124.88 37.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.425 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -145.65 137.38 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.391 . . . . 0.0 111.387 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.54 119.58 39.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.337 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.414 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -102.66 149.34 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.565 -179.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 13.9 t80 -109.26 148.68 30.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.643 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 98' ' ' TYR . 2.7 m-85 -105.3 84.47 1.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 -47.87 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.51 29.48 7.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.18 111.83 3.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.332 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.78 44.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.214 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 -170.66 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.72 19.16 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.546 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -74.04 143.63 45.41 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.11 -56.92 7.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -71.51 142.34 50.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -114.92 95.36 41.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.46 148.6 38.16 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.509 2.139 . . . . 0.0 112.377 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.415 ' N ' ' CD1' ' A' ' 111' ' ' TYR . 2.1 p90 -164.02 144.56 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.76 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.14 141.97 10.38 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.6 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -170.79 -164.61 26.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.859 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -142.87 160.58 40.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.834 0.35 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -159.97 -173.75 28.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.63 139.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -122.6 113.85 19.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 92' ' ' ALA . 6.8 p90 -137.93 135.61 36.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.0 t -135.07 149.38 50.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 p -114.44 162.17 17.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -134.75 143.58 47.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.81 -179.22 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.61 160.86 29.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -137.59 -47.91 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.3 -29.26 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 69.99 -63.82 0.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.88 159.72 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.141 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.5 m -58.75 148.5 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -161.59 31.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -44.81 75.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -31.17 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.67 72.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -88.01 -33.81 18.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.89 28.91 69.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.17 131.48 34.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.8 p -79.14 -33.41 44.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.18 150.75 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.5 -44.36 2.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 92.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.85 46.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 62.42 118.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -132.15 77.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.2 p -161.84 171.05 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -118.04 147.92 42.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.31 -174.86 13.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.683 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.54 137.06 35.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -122.87 134.26 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.99 149.18 17.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.548 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -131.47 138.44 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.73 124.09 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 174.95 -154.75 19.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.661 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -153.89 158.68 41.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.01 139.82 34.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 162' ' ' PHE . 2.3 t80 -129.1 85.62 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 111.25 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.446 ' HB3' ' HB3' ' A' ' 161' ' ' LEU . 1.2 ptt? -88.06 147.87 24.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.886 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.01 -31.56 13.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.518 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 44.1 t30 76.54 -3.1 2.59 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -85.48 -48.03 9.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -129.9 -33.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -166.39 -172.45 2.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.017 0.437 . . . . 0.0 111.704 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 155' ' ' MET . 3.5 mp -116.54 156.43 26.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.412 ' O ' ' N ' ' A' ' 154' ' ' TYR . 0.3 OUTLIER -127.79 150.24 49.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.832 0.349 . . . . 0.0 111.148 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -136.14 146.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.46 130.77 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.09 177.05 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.98 141.2 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -120.26 127.85 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.8 103.28 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 13.8 ptt? -115.52 95.93 5.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -131.13 124.84 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 7.7 tp -76.94 140.0 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.42 103.03 15.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 17.2 m -100.98 140.83 34.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.86 -178.57 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -159.25 158.66 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.4 m -99.14 -35.25 10.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.5 tt -78.62 133.27 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.024 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -68.53 149.58 49.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -125.35 92.12 0.41 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.62 164.26 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.613 2.208 . . . . 0.0 112.358 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 16.3 m -106.56 148.97 27.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -107.25 152.57 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.63 164.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -171.38 35.99 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.59 128.29 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -63.48 179.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm 60.48 86.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 26.6 m -144.03 142.99 30.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -156.71 158.24 36.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t 59.97 88.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -98.08 -61.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 30.5 t -111.19 -68.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.56 82.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 16.5 m -137.03 35.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 61.19 88.64 0.12 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.48 -28.7 26.28 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.476 2.117 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -65.72 138.0 57.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.92 118.13 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 199' ' ' TYR . 3.0 p90 -138.45 146.23 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.3 tpt -135.34 128.79 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 4.2 pt -107.57 126.11 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -134.01 176.37 19.81 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.553 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -134.8 139.11 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.32 -164.07 9.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.564 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -152.66 145.73 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 129.15 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.19 133.07 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.69 146.47 33.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.19 -29.67 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.948 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -123.66 -65.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 171.3 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.402 ' CB ' ' N ' ' A' ' 54' ' ' ALA . . . -79.74 143.69 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.15 -8.07 44.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.88 152.49 19.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.697 0.284 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' CE2' ' HB3' ' A' ' 207' ' ' PHE . 12.2 p90 -125.74 130.04 50.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mp -136.17 140.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.419 HG22 ' CZ ' ' A' ' 49' ' ' PHE . 3.7 mp -105.62 137.27 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.182 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -136.26 146.42 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.4 138.08 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.27 -170.98 25.56 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -80.02 123.87 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.92 102.95 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.5 142.81 29.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 m -130.22 74.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -173.3 147.17 1.42 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.19 144.26 48.57 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.47 2.113 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.71 30.49 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -89.63 -40.87 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.06 122.97 46.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.22 -50.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 p -69.36 96.87 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -134.26 129.96 36.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.7 45.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.028 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 -47.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.2 89.07 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.87 -47.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.08 -178.19 22.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.538 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.79 87.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.12 -53.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -89.1 136.4 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -74.15 164.36 26.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.45 -163.52 12.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.563 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -146.12 142.46 28.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.58 96.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.31 91.93 3.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.0 p -103.16 19.96 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -160.71 29.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.032 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.78 30.66 6.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.01 122.15 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.16 93.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.1 p -98.21 23.14 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -83.4 126.81 33.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.799 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.25 134.58 51.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.05 137.49 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.408 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.88 146.34 49.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 t -155.4 149.85 26.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.419 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 6.2 m-85 -115.92 143.01 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.649 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.99 127.87 45.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.427 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 5.3 m-85 -111.39 99.33 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.82 129.24 40.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.372 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -110.62 179.24 4.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.402 ' N ' ' CB ' ' A' ' 4' ' ' ALA . . . -55.22 149.51 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.054 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 77.61 -62.15 0.38 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.603 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER 164.93 38.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.47 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CD1' ' HB3' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -87.66 -174.03 4.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.907 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.427 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 172.21 130.22 1.22 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.74 111.62 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.838 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -96.23 122.7 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.206 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -111.89 119.97 40.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.468 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.72 136.51 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.28 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.95 118.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.18 141.13 43.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 74.7 p -108.26 153.43 41.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.85 -175.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.536 2.158 . . . . 0.0 112.33 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -62.63 -56.32 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -163.11 161.74 25.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -71.93 126.14 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 60.59 175.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 22.7 m -131.52 -45.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -145.04 -69.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.2 t 73.81 4.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.715 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.18 27.91 4.46 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.734 0.302 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.61 -171.02 37.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.56 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -123.06 107.91 12.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.974 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.31 144.28 12.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.95 61.21 5.58 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.534 2.156 . . . . 0.0 112.218 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.81 29.24 6.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.99 -47.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -177.5 2.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.7 65.32 0.55 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.418 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.51 148.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 60.54 107.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.24 -63.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.1 152.11 38.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.791 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.5 mm 63.99 129.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -133.01 36.42 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -127.86 158.63 37.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.466 ' CB ' ' CD ' ' A' ' 91' ' ' PRO . 0.6 OUTLIER -156.75 -66.58 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 90' ' ' LEU . 59.9 Cg_endo -72.23 125.96 11.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.37 2.046 . . . . 0.0 112.184 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.63 111.65 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 m -126.82 137.59 53.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.01 119.52 21.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.5 mp -135.11 150.03 50.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.97 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 57' ' ' TRP . 0.1 OUTLIER -106.93 111.17 23.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.845 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.69 155.56 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.436 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 5.8 p90 -146.84 150.16 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.507 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 88.4 m-85 -93.48 110.08 44.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.41 -52.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.572 2.182 . . . . 0.0 112.303 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.72 29.19 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.9 104.9 2.37 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.51 43.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.14 -170.45 2.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.58 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 -83.39 19.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.396 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.69 154.8 40.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.7 -33.61 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -94.94 143.18 26.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.33 89.92 6.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.83 134.19 13.2 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.588 2.192 . . . . 0.0 112.284 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.416 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 23.1 p90 -146.17 159.26 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.117 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -137.99 136.67 8.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.246 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.11 170.74 24.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.825 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.2 132.92 12.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -158.14 -164.99 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.709 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -111.02 146.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 111.162 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.18 121.51 35.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -143.04 138.56 30.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.401 ' OG1' ' CE2' ' A' ' 144' ' ' TRP . 0.2 OUTLIER -118.39 102.6 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.2 t -111.45 162.09 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -151.51 139.51 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -73.58 133.51 43.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.13 -44.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -86.88 166.73 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.99 -40.72 5.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.9 tt -119.18 160.84 21.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.2 146.35 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.8 t -118.13 109.5 16.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -146.62 128.02 14.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -80.96 -31.75 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -71.4 -35.0 70.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.86 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.47 -31.09 20.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.33 29.48 4.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.55 -172.0 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.0 p -121.29 17.1 11.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.93 169.23 10.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.859 0.362 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 56.1 mmm -142.81 -175.95 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 160.2 27.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.82 176.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -178.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.9 t0 59.84 97.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.9 p -128.97 165.45 21.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . 0.401 ' CE2' ' OG1' ' A' ' 119' ' ' THR . 20.3 m95 -103.71 175.11 5.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 173.49 -162.92 34.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.605 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.03 148.8 16.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 111.1 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -142.52 -177.55 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -150.95 151.09 23.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -132.37 129.36 39.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.718 0.294 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.83 123.48 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.86 -145.1 5.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.592 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -158.11 177.98 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -133.07 136.24 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.677 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.435 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -107.47 84.98 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 0.0 111.253 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.495 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 23.0 mtm -69.95 121.75 17.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.979 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.67 -33.8 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.2 t30 77.26 -1.44 2.76 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.51 -48.11 9.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.99 0.424 . . . . 0.0 110.522 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 -34.43 0.55 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -163.95 -172.99 3.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.049 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.495 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.0 pp -117.06 176.3 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -109.91 150.02 29.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.883 0.373 . . . . 0.0 111.088 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -136.56 107.5 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -136.97 131.09 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.84 171.1 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 29.5 t -97.07 134.67 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -117.72 112.79 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.54 99.72 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -129.26 91.4 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 8.6 tp -76.87 122.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -142.99 112.5 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 43.4 p -145.55 115.92 7.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -171.07 -179.51 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -153.72 78.12 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 27.9 m -86.59 153.75 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.1 pt -132.75 116.85 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -68.98 113.08 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 174.21 58.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.73 -172.21 0.65 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.608 2.205 . . . . 0.0 112.391 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 4.2 m -101.65 31.21 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -167.68 155.95 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.19 167.55 10.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 167.43 -113.6 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 16.6 t 60.79 32.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.01 -63.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 118.92 27.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 41.4 p -101.52 -178.69 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 138.16 53.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.48 142.71 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -153.4 142.58 21.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 11.1 p -169.08 158.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -60.19 -179.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.0 p -121.15 -42.25 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -140.94 81.56 16.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.43 61.38 4.26 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.529 2.153 . . . . 0.0 112.314 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -178.32 145.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.07 158.61 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 10.4 p90 -142.99 149.64 38.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 15.3 ttp -128.34 128.03 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.2 pt -122.79 141.21 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -159.64 -162.49 12.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.02 175.35 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.33 154.64 25.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -155.22 121.19 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.41 138.16 36.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . 0.423 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 2.2 t80 -99.38 115.19 28.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.64 140.57 36.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -96.98 164.91 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 26.0 t60 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.934 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mtm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.799 0.333 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.07 125.13 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -134.53 -176.08 4.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.21 119.44 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.69 5.09 27.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.809 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.41 126.62 28.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -81.87 104.98 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 mm -121.06 122.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.3 pt -95.03 129.44 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.43 162.95 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.78 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 137.94 3.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.96 178.17 27.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -84.7 162.03 19.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.5 173.11 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.3 p -67.83 161.27 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.87 123.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -136.02 87.89 23.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.37 147.56 65.62 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.574 2.183 . . . . 0.0 112.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -176.09 93.07 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -79.29 -50.91 10.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -70.7 158.34 36.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -127.41 147.97 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 m -99.72 31.45 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.38 -39.36 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.9 tp -110.6 -32.19 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -113.34 172.58 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -112.16 -48.61 3.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.43 -179.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.33 168.43 35.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.88 72.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -124.79 100.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 63.73 136.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -148.83 31.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.8 -92.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.24 98.38 9.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.59 86.04 2.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.61 84.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.9 t -75.92 -179.37 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.9 p -157.91 65.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.08 92.01 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.6 t 66.0 -73.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -150.79 167.3 27.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.7 p -115.29 -37.89 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.92 138.14 32.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.92 -177.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -122.92 135.56 10.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.608 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mt -119.16 141.51 48.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.641 0.258 . . . . 0.0 110.506 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.3 p -143.2 135.77 27.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 111.451 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.77 118.15 32.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.097 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -112.05 134.01 53.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.764 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -109.04 90.55 3.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.955 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.94 123.68 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.834 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.97 134.54 34.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.846 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.0 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ALA . 12.7 m-20 28.33 60.82 0.12 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.216 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -166.92 -34.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.735 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -152.04 -176.68 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.24 0.543 . . . . 0.0 111.966 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.08 119.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 m -102.01 139.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -132.41 150.03 52.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.0 tt -133.77 125.01 27.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.46 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.1 t -90.89 136.37 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.364 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 131.68 2.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.43 151.53 38.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 30.5 m -115.07 139.16 23.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.6 117.22 4.94 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.445 2.096 . . . . 0.0 112.355 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -131.25 30.06 4.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -137.11 -69.58 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -102.91 170.48 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 60.51 31.22 20.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -165.85 144.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -139.15 -60.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.5 m -149.69 -45.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.249 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.6 mmtp -52.07 -30.21 24.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.92 129.17 32.38 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.49 165.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.35 -149.37 18.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.21 142.29 49.95 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.555 2.17 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.5 -67.31 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 tp 63.78 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.755 0.312 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.76 141.38 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.71 82.35 0.81 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.2 mttt -114.89 128.4 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.315 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -124.93 31.79 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.73 177.73 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -151.86 -46.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.73 38.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -98.55 30.85 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.78 172.11 13.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.9 mt -145.24 158.25 51.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.38 162.16 34.84 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.556 2.171 . . . . 0.0 112.177 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.13 154.59 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.8 m -127.79 127.42 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.12 131.92 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.34 158.2 43.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.35 145.38 48.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.27 143.63 50.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 86.7 t80 -100.27 150.1 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.95 89.04 45.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.186 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.48 -52.25 2.06 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.529 2.153 . . . . 0.0 112.184 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -25.92 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.8 116.8 3.53 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.73 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.62 44.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.132 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -170.58 3.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 110.615 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -84.56 19.22 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.464 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.25 -175.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.34 30.63 6.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.416 ' CD2' ' HD3' ' A' ' 110' ' ' PRO . 41.2 p90 -173.94 143.6 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.62 90.2 5.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.416 ' HD3' ' CD2' ' A' ' 108' ' ' PHE . 40.0 Cg_endo -67.16 131.87 26.31 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.56 2.174 . . . . 0.0 112.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CE1' ' OD1' ' A' ' 153' ' ' ASP . 7.2 p90 -148.25 140.91 24.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.65 132.51 4.45 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.65 -164.82 27.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.557 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -123.64 177.15 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -151.95 172.07 31.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.407 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.73 135.83 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 111.12 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -108.03 130.85 55.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -132.93 124.56 28.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.09 141.62 44.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 36.9 p -100.41 122.33 42.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -119.08 149.93 40.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -64.45 159.3 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -104.14 147.09 27.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -137.15 139.82 41.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -107.4 -36.27 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.04 -178.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.02 142.33 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m -62.48 137.53 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -104.29 101.86 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.92 -58.36 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -86.48 -35.41 19.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.89 -34.2 72.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.024 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.68 -32.57 7.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.9 41.76 7.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.79 155.62 38.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.786 0.327 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -98.93 -43.24 6.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.8 t -105.96 148.63 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.3 mtm -83.9 -59.91 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.63 99.62 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -166.46 132.52 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -146.27 -46.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.63 75.68 1.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.92 135.84 33.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -146.38 148.93 32.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -138.34 -175.95 14.25 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.611 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.77 126.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.12 168.7 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -124.94 154.92 18.38 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.596 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -147.03 121.23 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -154.76 126.74 7.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.025 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.41 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . 169.5 -144.96 8.96 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.568 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -148.88 163.29 37.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.402 ' OD1' ' CE1' ' A' ' 111' ' ' TYR . 20.7 m-20 -114.45 114.04 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -93.96 85.73 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.513 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.2 ptp -68.0 153.04 44.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.156 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.79 -33.67 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.8 t30 76.35 1.61 3.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.711 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.51 -48.02 9.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -143.11 -35.65 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.798 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.33 -172.88 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.805 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.513 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.8 OUTLIER -116.85 174.31 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -116.21 149.21 39.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.939 0.399 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.77 123.06 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.42 124.54 21.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.41 ' HA ' ' HA3' ' A' ' 151' ' ' GLY . . . -163.7 177.68 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 17.1 m -98.75 133.8 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.828 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.417 ' CE3' ' HG2' ' A' ' 200' ' ' MET . 0.0 OUTLIER -108.04 109.13 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -77.97 137.52 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.526 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.81 145.8 53.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -78.66 167.05 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 31.3 mt -103.55 114.78 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -126.23 144.34 50.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.32 128.22 33.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -140.91 121.73 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -90.24 154.09 19.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.14 33.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.46 30.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -103.45 135.02 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 62.88 93.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.14 79.77 0.56 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.53 2.153 . . . . 0.0 112.265 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 17.6 t -115.36 -171.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -131.08 110.28 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.81 172.94 11.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 136.34 155.19 7.04 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.93 -63.74 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -139.52 -62.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -133.76 -67.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.12 150.76 33.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.68 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 19.5 t 62.85 39.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.064 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -95.05 88.48 5.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 5.2 m -133.33 -47.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.069 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -68.0 133.09 48.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.3 m -141.28 -48.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.294 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 179.43 91.26 0.18 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.23 -15.18 38.87 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.462 2.108 . . . . 0.0 112.542 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -136.58 178.07 7.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 111.102 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 16.8 m -149.32 116.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.48 138.7 52.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' MET . . . . . 0.417 ' HG2' ' CE3' ' A' ' 167' ' ' TRP . 0.0 OUTLIER -144.75 151.55 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 4.4 pt -134.42 142.18 41.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.213 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.56 -177.62 23.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.98 161.46 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -160.72 175.29 37.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.624 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -158.33 121.06 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 13.1 pttp -101.21 141.01 34.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -67.73 147.39 52.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.8 150.38 47.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -99.77 -66.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.823 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.828 0.347 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -111.32 169.89 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -177.15 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.03 140.61 50.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.22 5.22 67.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.758 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.3 123.55 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.33 114.51 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.2 131.57 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.6 pt -107.23 158.97 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -156.89 161.84 39.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 137.87 2.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.34 -170.98 31.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.418 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -161.67 168.34 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.59 179.63 8.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -163.26 -67.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t 65.27 91.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -156.02 78.11 4.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.06 142.79 53.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.611 2.208 . . . . 0.0 112.28 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -137.45 30.09 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.0 -33.07 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.68 131.81 47.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t -173.01 81.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -134.18 40.47 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.04 172.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.4 mm 62.69 90.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.58 -65.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -128.87 -61.48 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -145.53 -66.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.7 150.93 8.3 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.88 139.8 47.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -161.1 -47.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -105.29 166.92 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -140.67 170.29 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.77 131.94 10.87 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.1 p -106.12 32.79 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 60.7 95.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.94 175.16 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.3 p -132.25 52.56 2.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -75.52 -60.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t0 59.92 92.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -101.63 -55.61 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -170.91 65.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.02 23.14 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -95.97 133.5 40.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.88 132.33 53.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.11 141.79 15.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.29 148.04 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.635 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 m -149.19 136.65 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.252 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -103.55 143.86 32.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.548 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.3 p -133.01 120.22 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.223 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -110.37 96.23 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.39 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.419 ' HE3' ' CD2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -56.68 132.54 52.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.322 -179.488 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -112.31 170.39 8.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.926 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.25 153.49 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.867 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 77.61 -60.89 0.42 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.872 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 164.06 41.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.618 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 43.2 m95 -103.36 177.1 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.026 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.3 153.76 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.642 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.31 111.95 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -97.12 143.08 28.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 111.224 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.01 110.49 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.44 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.8 t -90.79 127.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.09 -175.01 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.41 127.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 p -132.47 147.73 66.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.58 -168.13 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.526 2.151 . . . . 0.0 112.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -110.3 -31.44 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -65.97 -179.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.91 178.12 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -88.5 116.11 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.52 -33.43 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.48 135.53 49.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.99 119.75 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -89.94 -64.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.63 93.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.6 mt -101.75 137.44 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.97 120.05 3.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.429 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -36.34 10.3 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.459 2.106 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.09 82.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.548 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 tp -138.95 137.84 36.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -85.37 152.42 23.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.69 -153.38 25.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.72 164.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tt -171.73 -46.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -158.04 137.44 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -142.91 87.58 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.4 mp -76.45 -50.61 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -67.65 88.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -167.96 85.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.59 166.62 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.56 135.19 38.12 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.502 2.134 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -147.48 117.3 7.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.37 130.46 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -120.19 117.48 28.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.756 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.91 155.02 45.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.64 139.98 46.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.98 146.42 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.436 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 58.3 t80 -141.73 125.33 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.77 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 66.2 m-85 -103.83 94.24 6.14 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.34 -49.97 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.481 2.12 . . . . 0.0 112.542 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 tpt -112.54 -27.08 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.33 151.94 44.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.407 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.52 -17.18 1.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.59 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.79 -170.79 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.739 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -91.2 19.3 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.1 p -69.23 155.3 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.791 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.3 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.79 122.74 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.7 81.62 9.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.023 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.42 22.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.491 2.127 . . . . 0.0 112.213 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -159.31 157.13 29.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.6 148.88 16.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -167.81 -165.03 24.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.621 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.4 tp -143.5 161.71 37.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.66 -165.31 21.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.38 158.9 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -120.84 124.54 45.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.04 115.3 15.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.65 124.4 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.3 p -108.49 171.88 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.56 154.64 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.03 158.12 11.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -118.53 -178.45 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -100.4 168.3 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.68 -31.29 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.96 103.14 15.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.75 127.72 34.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.29 -68.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -170.04 34.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -55.82 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -22.96 40.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.01 -23.77 21.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.371 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -63.01 -31.7 72.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.98 33.81 75.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.578 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -75.35 172.52 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 58.0 m -126.73 17.22 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.335 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 52.9 p -124.86 151.98 44.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 16.7 mmm 61.41 114.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -158.83 -52.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.27 -44.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -80.51 96.95 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.62 -51.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.6 m -142.7 116.43 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -153.28 151.24 29.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -116.79 144.15 18.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.589 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.0 174.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.803 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -144.07 146.3 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -134.81 154.73 21.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.412 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.45 118.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 8.4 tt -147.18 123.11 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -177.15 -144.96 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.609 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.36 155.47 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -110.69 132.11 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -128.48 85.79 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.361 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.54 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.2 ttt -64.07 143.87 57.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -32.87 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 75.29 0.37 3.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.701 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.55 -47.92 9.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.128 0.49 . . . . 0.0 110.35 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -143.12 -34.88 0.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.8 -172.7 4.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 1.3 pp -116.79 167.33 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.814 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.31 138.44 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 111.167 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -138.85 113.12 8.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.742 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.4 ttm -124.83 146.72 49.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.66 179.77 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.26 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.05 127.84 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -109.09 108.64 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.44 109.13 20.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.8 mmt -124.48 118.92 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.03 90.93 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 18.5 tt -101.34 143.04 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.17 152.33 42.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.5 m -154.86 148.74 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -30.16 8.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -93.37 47.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.58 85.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.742 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.6 pp -109.84 -28.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -96.47 144.19 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -141.1 81.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 139.03 39.28 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.579 2.186 . . . . 0.0 112.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.52 120.0 19.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -113.35 165.64 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.37 37.44 20.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -172.42 106.75 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 11.0 p -96.22 -31.0 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.69 161.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -129.18 -57.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 44.8 p -74.81 128.51 35.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 127.38 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 12.8 t 59.41 29.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -169.48 72.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.76 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . 0.445 HG11 ' CG2' ' A' ' 194' ' ' VAL . 4.1 t -94.9 -68.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.2 t0 58.96 19.51 7.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.818 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . 0.445 ' CG2' HG11 ' A' ' 192' ' ' VAL . 35.2 m -138.8 -29.58 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -104.78 102.13 33.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.905 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.417 ' HB3' ' CE1' ' A' ' 199' ' ' TYR . 75.4 Cg_exo -49.76 162.41 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.492 2.128 . . . . 0.0 112.441 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -100.57 -73.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.98 112.17 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 196' ' ' PRO . 8.4 m-85 -124.61 115.53 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -100.09 148.39 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.56 115.54 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.39 158.4 23.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.582 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.18 154.66 49.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -167.72 -156.93 10.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.647 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -142.57 160.71 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 110.824 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -117.24 139.12 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -63.83 123.04 17.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 4.4 mt -83.26 142.64 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.35 -179.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.741 0.305 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -122.63 140.53 52.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.25 -175.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.19 143.05 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.6 5.23 69.33 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.759 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.01 125.53 21.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.897 0.38 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -99.47 107.87 20.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.0 mt -117.67 141.87 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -94.86 123.83 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -121.47 152.71 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.66 -162.02 13.85 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.92 164.36 14.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.648 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 2.3 p90 -159.0 132.43 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 0.0 110.814 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.24 119.18 27.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 t -112.82 -30.0 7.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.9 t 67.96 140.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t0 61.97 81.1 0.24 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.91 155.82 61.48 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.674 2.25 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -69.43 -32.05 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -24.15 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -31.28 61.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.044 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m 60.09 89.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 p -148.8 155.1 40.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -72.44 -44.67 62.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.9 mt 63.98 39.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -85.99 153.64 22.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.598 ' HG ' ' N ' ' A' ' 28' ' ' ASP . 0.6 OUTLIER -174.84 -40.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.598 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 9.5 t70 62.01 163.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.37 -128.05 6.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.481 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.03 -56.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 mttp 60.13 31.25 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.99 61.97 1.34 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.778 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -126.69 -54.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.09 88.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.1 m -145.26 127.95 16.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.67 121.43 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.0 175.3 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 p -88.6 90.26 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -140.28 31.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.16 104.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.33 32.58 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -125.24 125.6 43.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.1 p -110.18 -29.69 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -58.42 164.74 2.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 pp -107.92 -177.01 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.84 157.35 24.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 158.47 23.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 0.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 39.6 m -155.8 131.82 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.186 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -90.43 156.42 18.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.418 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 141.86 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 111.586 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -133.85 87.56 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 2.1 ttp -71.91 129.18 37.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.82 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -88.95 140.87 28.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.888 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.0 92.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 31.49 60.73 0.28 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.03 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.421 ' HG2' ' CZ3' ' A' ' 57' ' ' TRP . 18.7 tttp -163.76 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.845 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.421 ' CZ3' ' HG2' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -151.46 -170.75 3.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.865 -179.277 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -170.67 175.3 44.51 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.065 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.9 149.84 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -144.17 135.96 26.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -151.55 107.01 3.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.84 139.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.99 140.53 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.59 143.64 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.1 p -131.12 151.56 79.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.32 170.06 18.14 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.592 2.195 . . . . 0.0 112.287 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -169.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -161.66 -57.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -121.89 177.19 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 60.78 96.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 p -174.02 142.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -122.38 56.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.5 m -67.77 143.68 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -86.81 -66.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.8 -65.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tp 60.28 33.2 20.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.09 -159.47 53.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.559 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.36 167.26 24.44 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.591 2.194 . . . . 0.0 112.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.28 31.9 1.67 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 mp -90.9 -50.9 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -104.77 146.77 28.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.93 102.24 2.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.81 155.39 23.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.34 154.7 45.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.01 66.41 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.43 71.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.1 pt -118.8 -39.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -154.69 -58.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 61.54 29.84 18.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.06 131.68 34.48 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.897 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.6 157.65 40.17 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.403 2.069 . . . . 0.0 112.366 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.12 146.44 42.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.413 ' HA ' ' CE1' ' A' ' 118' ' ' TYR . 1.4 t -156.3 147.97 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.2 mt -116.29 150.13 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.66 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.73 135.57 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.171 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 57' ' ' TRP . 5.4 tt -84.07 150.55 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.561 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.99 129.06 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.946 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.66 124.08 49.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -116.74 79.36 9.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.33 -45.81 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.631 2.221 . . . . 0.0 112.256 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 mtt -112.0 -27.02 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.14 133.65 52.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.2 3.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.758 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 p -84.78 -170.65 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.66 19.18 3.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.51 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -173.91 0.22 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.781 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.42 -65.04 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -71.58 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -110.73 89.02 8.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.97 151.81 14.29 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.683 2.255 . . . . 0.0 112.261 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.7 p90 -171.04 153.72 3.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.069 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.35 165.1 22.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.292 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 149' ' ' GLU . . . -136.73 153.48 21.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.813 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.81 128.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 110.739 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -171.69 -164.74 27.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.606 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.37 154.05 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.71 126.18 47.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.413 ' CE1' ' HA ' ' A' ' 93' ' ' THR . 7.4 p90 -136.03 117.68 14.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.5 t -102.82 123.85 47.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 m -100.35 88.01 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.11 165.86 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -98.78 157.77 16.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.26 -178.44 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -94.46 -58.77 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.84 27.0 4.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.24 147.65 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.36 158.46 9.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 50.4 m -77.16 -56.91 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -83.01 129.05 35.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -67.52 -45.88 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -31.54 70.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.25 64.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.309 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -32.28 73.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.18 29.55 8.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.89 120.53 25.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -119.01 -45.58 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 84.2 p -102.53 174.04 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 60.9 169.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.03 117.96 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.3 mt -106.79 158.28 17.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -136.71 118.82 15.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.25 -37.99 16.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.782 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 4.8 p -170.74 123.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.07 112.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -139.95 167.34 25.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.547 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.19 142.85 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.89 130.02 43.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -133.33 145.84 17.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.318 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 113' ' ' GLY . 9.3 pt-20 -129.29 152.18 49.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 mt -146.7 119.86 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -173.96 -144.94 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.588 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -164.25 140.17 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.87 117.9 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.4 85.95 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.976 0.417 . . . . 0.0 111.198 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.507 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.2 ptm -79.1 140.89 37.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.024 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' A' ' 156' ' ' LEU . 6.0 mp -89.01 -27.17 21.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.699 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 75.06 3.28 4.11 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.55 -45.0 12.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.667 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.05 -32.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.655 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -158.91 -172.45 3.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.019 0.438 . . . . 0.0 111.747 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.34 153.98 31.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.01 129.24 55.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.887 0.375 . . . . 0.0 111.074 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.03 119.88 39.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -135.66 127.22 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 169.13 10.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 149' ' ' GLU . 34.1 t -96.92 115.87 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.978 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . 0.423 ' CD2' ' HE2' ' A' ' 200' ' ' MET . 14.4 m95 -95.24 129.85 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -138.36 101.42 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 6.7 ptp -124.18 122.19 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.05 100.14 5.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.7 pp -76.88 103.57 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -139.91 145.57 38.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 18.7 m -127.92 146.22 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 166.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -112.08 167.18 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.0 t -68.98 -31.16 69.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.02 139.13 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -66.64 132.33 47.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 95.85 -139.26 14.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.397 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.68 157.09 3.8 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.52 2.147 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 43.7 m -120.15 -52.74 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -164.83 -178.21 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 10.8 mt -137.45 117.27 13.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -161.49 77.54 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 4.9 m -102.08 88.6 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.27 159.13 19.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -145.94 -56.27 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 77.6 p -71.84 111.51 7.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -66.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.4 t -149.13 -47.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -165.64 -53.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 5.8 m -133.54 95.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.05 90.43 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.3 p -166.81 137.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.46 95.09 21.04 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.05 109.65 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.63 2.22 . . . . 0.0 112.428 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.67 -69.53 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 13.6 t -83.27 142.9 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.991 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -130.39 131.08 45.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' MET . . . . . 0.423 ' HE2' ' CD2' ' A' ' 167' ' ' TRP . 17.4 tpp -118.28 148.87 42.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.73 117.73 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -135.02 159.97 24.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -122.14 138.23 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.65 -176.56 24.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.573 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -159.05 132.99 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.07 137.47 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.805 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.0 150.71 46.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.52 117.05 33.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 60.48 175.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.948 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.77 0.319 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -93.65 163.29 13.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -160.18 -177.9 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.06 133.48 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 93.78 5.2 63.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.723 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 126.36 28.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.857 0.361 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.79 114.38 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.08 139.53 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mt -95.76 130.75 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.59 141.07 51.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.73 -173.97 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.09 155.16 23.12 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.5 p90 -138.7 135.91 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.13 141.07 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.31 110.93 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 12.1 p -93.57 137.13 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.77 68.67 6.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.94 160.06 50.56 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.562 2.175 . . . . 0.0 112.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -127.88 30.61 5.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.97 -68.63 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.3 m -100.03 31.1 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 -38.29 40.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t -118.08 31.16 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -97.59 90.34 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.2 mt -124.61 -44.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -63.83 -45.71 88.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.07 100.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -130.7 134.28 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.14 -140.04 6.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.38 -62.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -76.1 82.13 2.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -94.45 134.96 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -161.93 98.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.61 113.59 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -90.12 -67.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.48 98.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 178.23 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 p 53.28 80.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 m -105.61 -37.97 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.02 163.59 31.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -103.89 98.86 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.32 -28.62 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.5 p -96.29 23.02 7.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -82.62 124.94 30.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 pp -111.24 161.48 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.08 144.29 12.4 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.544 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -118.28 148.65 42.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.696 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.3 m -152.65 133.33 13.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -93.44 165.99 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.89 142.23 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.122 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.43 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 6.3 t80 -128.24 85.67 2.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.96 135.82 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.435 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -113.3 134.63 54.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -67.93 89.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.607 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ALA . 1.2 m-20 159.43 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.464 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.7 35.37 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.79 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -119.89 157.79 28.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.081 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.63 126.14 1.53 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.553 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.0 111.97 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.47 146.11 29.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.83 110.59 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.0 147.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.65 124.96 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.88 150.15 33.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 p -92.02 147.77 35.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.9 -42.16 65.81 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.51 2.14 . . . . 0.0 112.308 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -156.91 -65.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -64.1 149.41 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -111.86 158.67 19.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -97.59 -46.94 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.71 82.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t0 60.57 157.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.5 m -73.62 166.48 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -123.69 -59.58 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.92 114.01 2.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.85 -39.36 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.49 134.79 2.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.9 -168.05 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.463 2.109 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.02 -177.09 42.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.12 -39.76 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.92 120.37 39.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.58 147.28 4.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.433 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.27 95.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -84.98 -40.7 16.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.37 84.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -123.43 161.6 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -143.26 128.25 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.51 133.3 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.09 91.97 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 mt -139.57 96.03 8.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.1 134.94 33.16 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.491 2.128 . . . . 0.0 112.24 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.32 166.07 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -145.3 113.37 6.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.77 124.07 51.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.18 138.57 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.15 118.31 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -101.81 144.02 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -135.55 140.23 44.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.5 p90 -137.11 88.41 17.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.54 -27.79 15.16 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.509 2.14 . . . . 0.0 112.273 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.1 mtm -108.13 30.69 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.46 146.31 16.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.68 -1.79 5.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.733 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.0 t -84.86 -170.5 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.311 . . . . 0.0 110.668 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.73 19.19 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.6 t -68.67 136.6 53.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.73 70.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.413 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 19.1 p90 -93.49 146.92 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.51 88.22 18.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.0 140.87 97.31 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.583 2.189 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -154.14 137.89 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.08 141.46 8.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.673 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.35 -168.34 38.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -147.14 -178.99 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -178.66 -164.96 32.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m -125.52 149.49 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -117.98 129.33 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -117.37 127.92 54.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.2 p -139.14 136.36 35.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.5 m -125.97 155.97 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.17 166.01 24.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.88 167.85 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.7 117.83 20.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.75 125.13 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.88 27.08 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.8 -34.51 6.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -100.26 130.09 46.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 p -145.93 -47.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -111.21 31.32 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.413 ' HG2' ' CD2' ' A' ' 135' ' ' PHE . 17.8 ttt180 -60.46 -49.52 77.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -68.13 -32.31 72.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.47 72.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -63.02 -25.03 68.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.11 43.94 1.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.446 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.413 ' CD2' ' HG2' ' A' ' 130' ' ' ARG . 0.2 OUTLIER -74.44 104.4 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.87 -31.66 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 p -121.38 167.25 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 60.55 94.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 160.43 16.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -92.06 164.89 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -103.04 99.04 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -154.14 31.77 0.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.97 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.24 170.92 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 34.0 p90 -103.53 156.74 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -162.82 -179.88 37.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.29 127.27 40.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.92 172.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -130.88 160.36 23.24 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.649 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -156.04 125.09 6.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.336 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -157.56 116.58 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -168.93 -144.97 4.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.625 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -148.53 146.84 28.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -100.5 116.85 33.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -106.25 85.66 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.512 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -71.26 144.61 49.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.004 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.444 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 1.3 mt -90.61 -28.0 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.768 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 4.2 m-80 68.94 2.04 3.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.97 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.75 -48.25 8.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.175 0.512 . . . . 0.0 110.3 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -143.29 -35.7 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.439 ' CB ' ' CE2' ' A' ' 205' ' ' TYR . . . -150.03 -172.86 4.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.512 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.3 pp -116.89 173.01 6.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.88 146.11 49.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.79 121.07 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 23.5 mtp -132.16 116.09 16.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -154.48 172.61 17.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.436 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 30.7 m -97.01 148.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.656 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -116.79 114.17 23.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -78.08 142.78 37.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -68.81 160.2 30.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -80.2 158.56 26.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.001 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 29.2 mt -132.58 138.89 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.009 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -92.5 130.56 38.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.2 p -74.04 161.18 30.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.24 129.22 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -109.72 77.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.3 m -161.07 118.75 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 7.0 tt -172.03 59.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.25 112.48 22.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 160.28 92.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.43 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -51.67 124.36 14.25 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.524 2.149 . . . . 0.0 112.407 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 7.3 t -151.55 123.78 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -96.83 170.55 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.5 29.92 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -135.42 100.63 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 23.1 m -133.14 177.08 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -136.72 116.85 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -123.75 137.11 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.4 136.13 38.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.33 -47.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.84 157.91 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.68 29.88 3.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t 60.84 155.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.29 -45.77 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.22 77.86 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -156.05 157.3 31.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.77 118.64 5.54 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.577 2.185 . . . . 0.0 112.246 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -92.86 166.51 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 19.9 m -131.37 158.97 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -146.48 117.17 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.37 137.02 48.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.5 pt -138.99 114.47 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -132.4 -171.63 12.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.722 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -137.07 143.59 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -147.35 -168.72 14.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.578 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . 0.439 ' CE2' ' CB ' ' A' ' 160' ' ' ALA . 61.6 m-85 -142.67 161.06 39.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.53 138.12 50.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.29 129.31 38.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 3.2 mt -112.08 116.18 30.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -140.52 35.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.846 0.355 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -80.82 99.13 8.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -114.1 -178.36 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.4 129.9 38.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.08 5.11 64.26 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.33 137.93 58.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.38 104.95 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 tt -127.38 145.36 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 HG21 ' CE1' ' A' ' 49' ' ' PHE . 2.7 pt -114.45 154.04 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -138.01 159.95 40.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.28 -172.04 12.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.49 176.6 34.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.529 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -136.48 148.47 47.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.318 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.44 132.86 35.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.3 p -126.88 102.69 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.2 m -59.48 -177.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -162.52 -65.42 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.026 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 48.6 Cg_endo -68.93 146.92 66.93 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.417 2.078 . . . . 0.0 112.214 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -115.43 -44.63 2.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -59.73 -32.35 70.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.22 111.92 24.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 m -156.34 -173.92 4.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 63.0 m -133.18 149.44 52.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 60.4 172.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 23.0 mm 63.71 31.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.2 115.02 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.15 84.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -174.01 109.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.9 48.35 0.95 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.37 80.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -111.18 137.27 49.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.36 -178.79 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 30.9 20.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.99 147.37 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 p -97.36 -43.07 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.6 mttp 60.65 97.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.71 106.43 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.2 p -147.07 37.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.19 -17.83 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.437 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.95 151.97 4.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.68 37.3 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.25 94.08 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.6 m -59.85 -45.27 92.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.0 162.66 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.792 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.17 -174.65 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.89 155.43 48.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 mt -129.86 132.1 46.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.757 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 50.0 p -141.48 130.46 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.072 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -93.21 153.86 18.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 179.702 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.5 140.19 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -130.25 94.37 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.82 136.12 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.358 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.22 170.46 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.757 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.54 154.67 24.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.667 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER 79.55 -60.5 0.33 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.834 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 161.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -111.18 175.27 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 97' ' ' GLN . . . -178.11 145.36 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.98 112.01 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.74 150.02 23.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tp -146.72 123.76 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.68 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.9 t -90.96 137.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 179.59 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -165.35 147.29 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 m -126.67 138.58 32.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.3 -169.48 0.41 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.473 2.115 . . . . 0.0 112.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -105.64 -42.66 5.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.56 115.59 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -92.12 69.73 5.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.42 92.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.1 p -134.18 114.51 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -143.94 86.19 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 m -112.59 -29.41 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -49.89 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.1 -150.3 12.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.533 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 mp -122.53 170.56 9.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.733 0.301 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.29 61.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.31 145.14 36.85 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.542 2.161 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.0 133.32 5.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 tp -86.85 -30.92 21.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -58.73 89.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.62 44.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.6 168.07 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.0 mt 60.01 76.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.4 -57.84 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -105.69 -179.89 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.1 mt -72.72 136.5 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -128.6 121.04 27.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -124.6 -44.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.965 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mp 61.56 165.1 0.1 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.85 126.04 15.89 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.526 2.15 . . . . 0.0 112.227 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.79 140.97 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.39 132.64 48.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tp -111.72 144.36 41.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 0.1 OUTLIER -159.91 135.64 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.166 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 14.0 mt -94.8 120.74 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.0 OUTLIER -101.92 119.76 39.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 112' ' ' GLY . 16.5 p90 -121.8 150.22 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -112.97 91.82 19.24 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.5 -52.07 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.096 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -27.02 8.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -55.07 117.3 8.02 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.662 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.41 45.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.211 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -153.95 -170.89 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.674 0.273 . . . . 0.0 110.678 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -77.48 5.37 9.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.66 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 p -58.09 139.23 55.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.75 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -96.53 136.27 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -108.67 92.73 10.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.03 133.86 30.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.464 2.109 . . . . 0.0 112.229 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -139.35 159.28 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 98' ' ' TYR . . . -116.31 146.11 18.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.314 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -131.34 147.43 18.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.711 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -165.65 129.49 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.728 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -172.58 -164.67 28.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.67 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.407 ' CG2' ' CE2' ' A' ' 118' ' ' TYR . 11.1 p -125.16 146.54 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -116.29 114.05 23.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' CE2' ' CG2' ' A' ' 116' ' ' VAL . 15.0 m-85 -131.68 127.89 37.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 68.3 p -114.75 133.04 56.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.88 134.11 41.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -129.05 139.16 52.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.997 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -101.15 135.08 43.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -120.97 111.98 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -112.63 -35.99 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -94.18 -36.8 11.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.2 mp 60.65 95.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.64 126.73 34.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.92 104.31 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -155.51 107.58 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -73.99 -31.22 62.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -76.63 -30.17 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.52 -41.66 85.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.86 -30.96 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.84 28.46 68.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -104.99 153.52 21.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.4 p -60.26 -56.24 23.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.3 160.01 14.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.5 mtt -123.53 34.07 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.02 97.57 3.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.28 145.76 26.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.32 106.92 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -105.79 -66.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.0 m -148.83 98.25 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -157.91 136.74 11.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.013 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 123.98 177.05 14.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.549 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.85 155.79 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.735 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -126.62 159.02 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.239 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.02 144.94 10.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -132.91 147.14 52.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -153.84 118.72 5.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.69 -145.19 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.576 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -146.61 176.12 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.15 114.13 22.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -97.22 85.83 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.49 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 19.6 ptt? -75.12 146.97 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.273 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 7.2 mt -98.26 -23.75 15.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.6 m120 68.88 7.8 6.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.846 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -85.65 -48.37 8.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.28 -36.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.688 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -152.23 -172.61 4.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.75 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.49 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -116.71 170.33 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.848 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.36 148.88 41.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.089 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.52 118.31 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 24.5 mtt -126.06 128.61 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.05 169.81 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 6.4 m -96.99 126.25 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -105.36 146.44 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -163.57 134.57 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.793 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.2 ptp -158.5 103.5 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.24 119.2 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.8 tp -76.86 139.81 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -124.42 97.8 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 41.7 p -86.86 136.08 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -164.5 134.83 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -72.96 178.86 4.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.055 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 22.9 t -105.88 -31.7 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.0 pt -92.51 -29.0 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -82.32 128.19 33.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -96.27 -150.03 26.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.42 161.0 3.05 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.541 2.161 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.85 26.67 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -179.77 134.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.19 173.0 11.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 153.21 -28.49 0.79 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 9.7 p -159.38 151.83 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -72.33 97.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -169.19 177.78 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.5 173.81 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -128.81 91.31 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.5 p -119.39 115.2 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -150.6 145.7 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 20.5 t -95.5 -61.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 3.5 p30 44.34 39.23 2.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.451 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 27.3 m -156.3 -177.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.29 138.93 74.0 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.5 -46.43 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.459 2.106 . . . . 0.0 112.304 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 4.2 m0 -161.47 137.53 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.44 138.19 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.95 118.71 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.7 pt -110.72 147.23 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.11 -169.74 16.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 203' ' ' PHE . 6.8 m-85 -121.83 178.81 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.356 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -164.76 159.62 32.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -158.93 138.97 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.2 mttm -96.76 139.44 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -72.59 143.37 48.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.2 mt -111.31 127.92 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.15 94.31 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.824 0.345 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -155.1 156.32 35.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.77 -170.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.55 156.58 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.62 2.4 84.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.825 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 149.71 26.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.837 0.351 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -127.53 115.68 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pt -137.4 137.22 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.052 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -94.87 159.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -145.2 110.08 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.57 138.5 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.63 -175.14 26.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -78.19 149.88 33.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.14 108.31 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -166.85 117.57 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.78 107.29 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.12 128.28 12.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.18 167.29 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.486 2.124 . . . . 0.0 112.265 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -142.93 -60.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -19.27 51.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.206 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.35 34.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.842 0.353 . . . . 0.0 111.04 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.2 p -83.16 -175.75 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -160.99 164.29 31.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.29 156.49 41.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.3 mm 60.78 19.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.357 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.42 42.03 32.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HG ' ' H ' ' A' ' 28' ' ' ASP . 8.5 tp -64.77 172.23 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.531 ' H ' ' HG ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -98.85 111.11 23.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.7 96.85 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.583 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.6 147.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -164.44 139.52 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -123.66 121.46 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.79 101.0 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.12 72.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.449 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.2 164.12 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.809 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -123.72 116.12 22.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.88 85.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -74.01 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -109.34 -31.12 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -154.99 -56.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 p -170.35 -70.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.79 88.9 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -118.71 -41.85 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.97 142.53 27.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mp -117.16 164.44 14.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.42 135.15 12.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tp -126.32 129.05 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 28.7 m -146.83 134.14 20.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.259 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -88.42 158.14 18.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -138.01 137.63 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.069 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.89 156.59 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.656 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.4 ' HG3' ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -133.49 117.98 17.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -109.37 168.32 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.723 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.65 158.21 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.702 -179.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 17.1 t70 80.4 -61.57 0.26 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 160.35 43.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.675 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.406 ' CH2' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -104.12 157.57 17.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.13 144.99 10.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -110.12 137.9 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.686 0.279 . . . . 0.0 110.967 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.28 135.73 45.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.67 115.59 15.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.03 132.53 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.192 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.05 -175.01 3.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.28 136.67 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 77.7 m -95.17 131.0 30.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.74 114.46 1.86 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.446 2.097 . . . . 0.0 112.22 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.64 31.47 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -119.76 148.87 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.416 ' CD2' ' HG2' ' A' ' 70' ' ' GLN . 3.4 t-160 -92.86 -67.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.416 ' HG2' ' CD2' ' A' ' 69' ' ' HIS . 13.2 pt20 -178.53 -175.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 25.8 m -133.01 151.81 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -102.47 -62.39 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.27 97.19 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -131.19 -55.97 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.02 61.12 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.74 -32.21 69.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.17 -117.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.15 121.65 8.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.47 2.113 . . . . 0.0 112.297 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.11 112.04 3.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.541 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 pp -158.52 159.73 35.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.57 118.35 25.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.38 -63.79 4.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.513 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -143.58 -72.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mt -119.07 -40.73 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 61.65 90.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -128.27 145.81 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -148.21 -43.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.355 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.26 -171.28 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.48 179.28 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.421 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 2.8 mt -139.0 65.25 36.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 90' ' ' LEU . 8.3 Cg_exo -72.12 129.67 15.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.868 2.379 . . . . 0.0 112.33 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.05 102.92 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.9 m -101.93 121.64 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.27 128.23 54.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 pp -147.39 162.29 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.415 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD12 ' CH2' ' A' ' 57' ' ' TRP . 0.4 OUTLIER -119.79 118.9 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.45 179.623 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.43 153.28 20.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.78 139.98 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.64 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.4 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 67.2 m-85 -107.56 80.98 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.31 -42.25 5.8 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.633 2.222 . . . . 0.0 112.186 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -125.22 29.2 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.58 101.55 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.88 44.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.21 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.86 -170.56 3.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 110.664 -179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -75.39 2.47 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.698 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.9 p -57.26 -176.51 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.45 -42.92 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.21 139.35 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -118.17 79.99 15.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 131.83 17.23 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.574 2.183 . . . . 0.0 112.439 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -137.58 165.9 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.743 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.96 144.67 10.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.31 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 pp -144.07 179.9 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.39 -164.91 28.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.406 ' HB ' ' CD1' ' A' ' 144' ' ' TRP . 25.5 m -128.9 145.24 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -108.14 141.95 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -135.15 135.91 41.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 p -113.8 104.34 12.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.5 t -97.86 125.65 42.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.81 156.08 47.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -111.1 154.51 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -152.54 34.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -74.6 -27.12 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -96.33 27.06 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.99 165.77 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -97.67 175.16 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.67 178.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -101.66 129.54 47.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -38.22 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -62.14 -34.18 75.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.44 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -29.73 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.02 30.25 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.629 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.76 110.99 19.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -126.95 -54.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.6 p -98.94 162.78 12.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.2 mtt 60.47 90.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -96.06 -60.56 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.35 158.19 24.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -71.49 159.47 34.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -150.98 86.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -155.77 150.26 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . 0.406 ' CD1' ' HB ' ' A' ' 116' ' ' VAL . 0.1 OUTLIER -156.01 126.08 6.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -106.95 136.91 13.65 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.429 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.52 107.69 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.8 171.01 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.41 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -125.12 153.82 18.11 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.93 116.99 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.756 0.312 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 2.5 pp -157.95 140.07 14.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.974 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -177.06 -147.61 6.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.721 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -146.36 155.02 42.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -118.38 134.19 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -118.83 85.46 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.471 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.9 ptt? -69.46 149.94 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 5.5 mp -110.04 -33.07 6.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 60.9 m-20 72.43 0.41 3.59 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.838 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.47 -47.96 9.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -137.26 -36.57 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.795 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . 0.414 ' HB3' ' CE1' ' A' ' 205' ' ' TYR . . . -161.58 -172.94 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 1.5 mp -117.0 170.48 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -111.55 148.81 32.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -148.04 132.26 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 12.2 ttt -156.65 150.65 24.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.76 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . 0.432 ' HA ' ' HA3' ' A' ' 151' ' ' GLY . . . -168.9 173.96 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 111.389 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.2 t -96.98 142.36 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.17 107.03 17.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.41 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 39.5 t80 -78.72 148.64 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.7 ptp -68.62 156.57 37.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -105.5 167.12 9.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.97 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 25.9 mm -86.88 125.69 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -134.21 141.27 46.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 t -66.49 116.04 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -36.21 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -88.99 145.11 25.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.73 32.01 2.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 16.1 pt -154.15 179.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.16 149.89 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 155.62 123.85 0.84 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.02 -43.57 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.466 2.111 . . . . 0.0 112.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.19 115.96 21.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -121.76 138.08 54.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.77 118.66 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -156.37 147.56 16.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.39 140.04 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -82.76 170.12 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.792 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.67 164.07 6.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.41 105.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.68 66.8 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 10.2 t 58.77 162.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 13.6 t0 71.41 123.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.2 t 59.42 82.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.36 -55.67 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 8.9 m -74.68 89.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 196' ' ' PRO . 0.3 OUTLIER -63.93 -61.2 7.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 195' ' ' ASP . 37.6 Cg_endo -66.21 157.71 58.5 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.449 2.1 . . . . 0.0 112.238 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -89.37 159.97 17.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 11.1 t -98.25 162.27 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -106.29 136.09 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.15 166.8 12.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 40.3 pt -98.89 146.41 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.34 -167.38 11.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.98 178.96 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.758 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.24 167.69 21.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.516 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . 0.414 ' CE1' ' HB3' ' A' ' 160' ' ' ALA . 61.6 m-85 -154.61 135.07 13.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -100.01 128.06 46.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -124.97 169.06 12.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.1 mt -117.56 140.12 50.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -167.51 123.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.809 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 mtt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.777 0.322 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -115.87 104.0 11.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.76 166.7 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.94 130.56 36.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.65 5.23 64.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.636 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 124.37 17.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -81.88 117.52 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.4 mm -128.74 137.69 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.043 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.3 pp -122.69 118.44 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -126.26 135.34 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.26 137.97 2.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.615 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.59 -175.01 28.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.462 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HA ' ' HG ' ' A' ' 45' ' ' LEU . 53.5 p90 -62.32 130.29 44.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.812 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.35 146.85 27.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.8 p -141.99 88.87 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.774 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 15.9 m -136.54 -43.31 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.366 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 65.13 91.57 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.3 163.43 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.626 2.217 . . . . 0.0 112.442 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -145.65 51.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.95 -30.06 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -103.35 -60.45 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 p -93.37 156.91 16.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -157.31 150.18 23.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.67 79.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 pt -118.02 -35.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -65.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mt -159.61 129.6 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.56 162.0 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.13 150.5 32.19 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.65 105.21 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -160.4 -58.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -119.7 -41.43 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -100.69 143.46 30.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -159.08 -100.13 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.14 43.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.84 148.34 49.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 67.04 -72.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 51.79 91.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -111.95 -41.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -92.11 110.98 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.37 -50.21 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -100.32 79.61 2.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 t -70.35 -43.44 70.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -135.85 157.61 46.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' HG ' ' HA ' ' A' ' 13' ' ' PHE . 6.8 mp -109.47 162.33 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.38 136.44 13.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mp -126.86 137.23 53.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.775 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.3 p -141.09 150.97 43.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -113.51 111.34 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.71 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 63.1 m -96.88 142.9 28.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.171 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.12 95.07 4.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.96 130.67 47.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.377 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB2' ' CB ' ' A' ' 57' ' ' TRP . 2.7 m-85 -109.83 129.07 55.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.855 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -66.87 86.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.537 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 162.81 -55.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.248 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER 160.42 36.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.87 179.336 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -123.11 163.74 19.98 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.424 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.57 122.59 1.11 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.399 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.8 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -117.58 138.17 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.245 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.3 mt -123.41 144.61 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 23.7 t -102.64 132.36 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.11 137.26 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.44 150.72 49.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -98.87 138.55 20.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.01 -45.21 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.521 2.147 . . . . 0.0 112.298 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -164.93 143.92 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.03 -170.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.22 167.73 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.36 153.23 39.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -179.04 -37.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t0 70.22 -65.57 0.31 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.4 p -138.22 142.17 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.106 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -96.24 42.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.1 112.51 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.549 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.32 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.93 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.14 117.71 0.74 Allowed Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.99 -45.73 1.88 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.494 2.129 . . . . 0.0 112.286 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.11 119.57 6.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.53 -42.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -110.21 148.55 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.48 98.03 0.12 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.86 118.53 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp 60.31 163.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.93 177.64 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.58 97.35 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.31 110.46 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.12 81.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -109.96 -63.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 mt -133.71 155.86 80.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.01 148.41 23.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.613 2.209 . . . . 0.0 112.264 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.2 143.31 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.3 m -115.66 144.51 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tp -132.06 129.12 39.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.73 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.2 mp -139.22 162.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 mt -124.96 122.33 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.416 ' CE2' ' HG3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -114.45 135.98 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.67 79.76 0.67 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.51 -44.35 2.3 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.544 2.163 . . . . 0.0 112.278 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -106.64 30.19 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.59 130.3 10.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.29 -17.74 2.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.82 -170.76 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.811 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -89.67 19.06 4.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.412 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.84 131.73 47.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.769 0.318 . . . . 0.0 110.777 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.82 82.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -81.38 137.82 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.71 85.26 3.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.57 151.13 58.34 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.622 2.215 . . . . 0.0 112.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.25 138.03 13.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.68 146.87 18.86 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.71 -164.99 32.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.51 -178.96 5.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.15 -165.0 30.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.0 164.41 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -138.93 124.16 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -134.33 127.11 31.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 4.6 p -122.69 131.31 53.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 75.9 p -121.18 113.03 19.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.01 129.59 51.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.769 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -65.43 172.01 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.12 119.84 13.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -177.13 5.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -114.29 -38.17 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.6 pp -75.46 -33.78 60.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.44 137.92 44.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.25 160.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -127.42 145.92 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.429 ' HG3' ' CZ ' ' A' ' 135' ' ' PHE . 0.0 OUTLIER -80.97 -48.13 12.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -74.2 -30.11 62.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.15 85.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.69 -34.02 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.08 44.97 58.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.719 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.429 ' CZ ' ' HG3' ' A' ' 130' ' ' ARG . 6.3 p90 -93.05 145.69 24.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.761 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.02 17.1 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.5 p -134.03 132.75 40.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.11 130.24 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -103.89 107.46 18.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.5 117.34 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -130.02 30.38 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.06 30.56 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.6 m -83.87 146.71 27.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -120.38 125.42 47.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -99.62 -177.63 31.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.86 132.58 43.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.56 153.42 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.86 160.95 21.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.36 120.37 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.63 112.88 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 176.69 -144.86 7.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.624 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -158.61 160.87 37.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.35 115.78 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 162' ' ' PHE . 13.1 t80 -90.48 85.24 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.482 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.2 mtm -70.99 151.16 44.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.4 tp -110.22 -40.01 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.725 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t30 78.14 -4.49 2.2 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.734 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -85.33 -44.14 13.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.059 0.457 . . . . 0.0 110.562 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -36.0 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -164.21 -173.01 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.482 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.9 OUTLIER -117.0 168.95 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.416 ' CZ ' ' HE1' ' A' ' 164' ' ' MET . 3.6 t80 -115.88 136.97 52.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.749 0.309 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.01 130.51 53.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' MET . . . . . 0.416 ' HE1' ' CZ ' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -151.48 115.95 5.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.722 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -162.46 167.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.351 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 29.7 t -97.11 118.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -104.51 124.88 50.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.51 97.56 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 3.7 ptm -128.46 106.52 9.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.83 136.7 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 4.6 pt -76.92 114.88 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.84 134.95 45.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.1 t -97.08 141.96 29.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.81 157.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -167.44 171.45 10.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 77.5 p -100.41 166.73 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.45 101.01 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.17 120.95 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -97.2 -110.98 2.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.95 139.46 69.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.442 2.095 . . . . 0.0 112.28 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 19.8 m -89.52 -48.21 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -96.87 41.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.89 88.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 152.36 160.66 9.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 31.1 m -76.2 178.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.925 0.393 . . . . 0.0 111.076 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -78.66 159.57 27.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -120.06 -66.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 9.7 t -107.09 134.58 50.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.36 161.87 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.92 157.62 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.73 -55.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.48 135.83 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.52 145.32 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 9.6 p -125.25 146.49 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -71.83 157.97 88.63 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.97 173.75 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.522 2.148 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -131.96 -46.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 104.29 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -127.02 148.22 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 9.5 tpp -125.95 141.53 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.7 139.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.32 -170.04 22.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.672 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 15.5 m-85 -127.62 142.32 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.95 -170.67 12.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.636 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -156.13 160.85 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.01 129.72 53.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.09 116.29 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.49 136.66 44.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.81 98.61 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.796 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mmt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.805 0.336 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -112.69 42.76 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.63 148.88 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.45 127.1 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.83 5.33 53.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.636 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.22 146.47 53.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 0.0 111.021 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . 10.2 p90 -126.97 105.02 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.6 pp -112.96 140.35 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' A' ' 49' ' ' PHE . 24.2 mm -95.0 129.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.64 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.89 137.92 2.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.423 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.64 162.24 19.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -147.16 179.12 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.67 83.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.8 p -150.43 30.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.0 m -85.02 123.96 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.167 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 1.8 m-20 -72.41 -60.7 2.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 59.0 Cg_endo -72.05 159.05 51.11 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.498 2.132 . . . . 0.0 112.331 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.12 31.82 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.56 -28.6 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -30.85 65.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.14 129.56 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.5 p -174.19 171.85 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -112.74 -72.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 15.1 tt -167.46 -44.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -117.88 -63.02 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.831 ' HG ' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER 60.45 43.25 13.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -59.74 -45.26 92.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.7 58.82 0.59 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.561 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.831 ' HB1' ' HG ' ' A' ' 27' ' ' LEU . . . -114.53 -39.34 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.064 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -149.84 -48.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.65 144.48 28.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.7 -68.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -126.69 -132.68 3.71 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.0 m -151.76 97.48 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.93 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.09 101.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.26 167.23 6.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.45 -49.38 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 60.68 107.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.5 115.27 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.08 98.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.6 p -86.74 -31.06 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -65.81 144.62 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.95 165.04 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.747 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.56 131.32 2.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.584 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.4 mt -124.98 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.732 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -153.97 134.58 13.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.433 ' CD2' HD13 ' A' ' 9' ' ' ILE . 5.8 m-85 -91.19 108.49 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 m -93.14 149.13 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' CB ' ' A' ' 7' ' ' PHE . 89.7 m-85 -141.83 120.22 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.591 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -100.52 131.38 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.28 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' HB2' ' CB ' ' A' ' 57' ' ' TRP . 97.4 m-85 -115.07 168.45 9.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.852 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -59.26 158.5 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.955 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 81.28 -62.37 0.19 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.8 45.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.391 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.436 ' CB ' ' HB2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -103.86 137.76 41.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.992 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.36 119.87 1.42 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.4 t -123.42 120.07 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.717 0.294 . . . . 0.0 110.919 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.9 149.67 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.79 119.62 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.4 t -90.9 148.02 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.515 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.2 116.99 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.047 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -150.47 168.62 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 t -110.84 139.8 22.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.15 -171.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.505 2.136 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -140.16 -47.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.48 -174.28 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.806 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.39 145.92 14.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.22 64.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.0 t 68.84 -67.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -153.85 -50.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.1 m -139.44 179.36 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -89.69 -61.07 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.41 -128.49 5.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 mt 62.43 149.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.13 -76.54 0.76 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 82.62 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.533 2.155 . . . . 0.0 112.329 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.61 -171.85 16.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.02 101.76 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.24 104.06 16.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.51 174.5 19.57 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -105.94 171.46 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.62 -59.16 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.62 91.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.4 -67.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.5 mt -126.27 131.04 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -101.0 161.6 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -101.12 150.24 23.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tp -106.23 100.64 30.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -50.89 165.77 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.457 2.104 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.63 133.86 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -137.29 113.91 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 tt -100.07 146.95 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.8 mp -147.79 154.84 41.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.19 126.01 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.405 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 13.2 mt-30 -117.24 157.75 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 94.3 m-85 -126.48 128.59 47.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CZ ' ' CE2' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -59.71 109.36 1.9 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.932 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.1 -45.84 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.417 2.078 . . . . 0.0 112.402 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 mtm -125.71 2.32 7.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.334 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.1 124.09 34.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.444 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 -28.08 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.98 -170.93 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.817 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -92.77 19.1 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.297 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 p -67.38 141.17 57.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.742 0.306 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.24 -27.35 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -89.59 126.43 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.88 93.94 8.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.62 155.0 59.66 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.569 2.179 . . . . 0.0 112.478 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CE2' ' CZ ' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -159.7 138.02 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.11 14.98 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.692 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.02 -165.0 38.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.71 178.7 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -160.81 -164.98 16.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.413 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m -141.66 143.05 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -116.84 124.9 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.25 134.33 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.9 m -137.28 102.03 4.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.7 t -97.84 145.61 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -150.54 126.21 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -100.6 148.57 24.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -145.82 -47.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -74.73 134.68 41.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.89 26.98 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.63 -31.98 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.6 122.99 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 53.5 p -175.76 133.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 60.28 92.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.2 ttt85 -77.17 -36.07 55.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -62.49 -32.87 73.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.03 -24.04 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.248 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -96.62 29.18 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.038 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.57 37.71 84.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.642 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.71 122.08 21.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.74 -56.17 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 m -146.43 155.94 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tpt -171.13 -65.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.66 124.33 9.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.6 177.35 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -131.51 119.04 20.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -166.52 92.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.3 t -130.04 151.17 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 37.3 p90 -159.42 148.65 18.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -87.98 153.41 24.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.98 132.47 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.13 156.75 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -143.76 138.39 8.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.52 120.56 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.06 124.65 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.53 -144.85 8.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -158.68 162.62 37.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.69 116.62 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.25 85.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.493 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 14.2 ptt? -66.43 153.0 43.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 8.7 tp -103.73 -34.71 8.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.7 t30 76.94 0.37 3.08 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.694 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -85.53 -47.99 9.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.125 0.488 . . . . 0.0 110.405 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -142.89 -35.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.828 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.92 -173.98 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.9 173.47 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.13 138.93 54.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.866 0.365 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -119.38 132.92 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.3 mtt -148.9 123.63 9.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.85 179.54 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 31.1 t -97.1 123.6 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -96.49 146.93 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -147.54 126.7 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.7 ptm -148.86 111.13 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.05 90.98 2.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.8 108.78 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -69.74 136.01 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.7 t -113.62 140.69 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.61 148.42 41.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -130.32 -62.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.6 p -81.9 155.53 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.89 175.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -82.21 143.9 31.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 177.97 -126.41 1.08 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -51.07 131.83 36.39 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.465 2.11 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 14.8 t -87.84 149.09 24.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -170.5 34.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.8 tp -98.31 152.45 19.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -114.14 -104.6 2.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 12.0 m 41.61 69.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.921 0.391 . . . . 0.0 111.824 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -136.3 170.2 16.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -95.12 165.08 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 8.7 t -136.16 -47.44 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.1 mmtm -142.96 -71.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.0 p -109.65 -24.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.7 t0 65.83 -169.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.6 p -58.15 137.45 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.087 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -76.06 -47.9 22.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 18.9 t -146.39 139.6 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.64 153.88 73.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.45 145.45 36.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.567 2.178 . . . . 0.0 112.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -113.31 156.38 23.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.69 146.13 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.11 127.9 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.0 ttt -121.9 141.89 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.04 133.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.54 -161.05 10.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.592 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.96 165.73 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.14 167.64 25.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.535 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 44.4 t80 -154.64 140.05 17.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.903 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.78 141.01 50.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.62 144.63 39.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.19 116.25 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.13 -32.15 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.802 0.334 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -117.11 -58.61 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -172.84 159.07 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.3 138.0 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.58 5.27 88.54 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.72 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 123.17 8.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.087 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -100.18 112.92 25.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.419 ' HB ' ' HB ' ' A' ' 50' ' ' THR . 6.5 mt -119.67 140.97 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.6 pt -94.72 117.64 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.352 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -108.01 159.4 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.762 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.97 138.15 3.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.17 174.42 34.72 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.579 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.19 121.0 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.0 106.7 13.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 46.4 p -100.88 77.63 1.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.37 125.29 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -162.49 139.01 5.9 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.15 158.18 45.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.499 2.133 . . . . 0.0 112.192 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -94.75 44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -74.71 -31.45 61.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -115.46 -169.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -159.85 -66.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -158.04 31.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.48 -179.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.4 -44.59 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -93.45 166.18 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.9 166.24 12.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.82 111.04 23.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.54 -177.05 21.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.16 -44.06 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -99.14 31.41 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -132.83 149.29 52.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.46 147.54 27.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.4 144.03 18.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.57 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -156.18 133.68 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.94 172.22 13.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.3 30.68 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -160.34 89.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.46 -45.95 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.08 112.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.6 p -89.38 83.21 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -140.64 32.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.6 m -101.09 -19.06 15.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -53.11 146.84 10.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.803 0.335 . . . . 0.0 111.081 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.99 163.72 21.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.77 17.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.566 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.1 159.57 20.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 5.6 m -158.03 139.8 13.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.543 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -90.17 163.61 14.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.154 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.419 ' HB ' ' HB ' ' A' ' 8' ' ' ILE . 2.0 m -146.29 135.76 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 111.814 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.69 85.8 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.025 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.484 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 6.5 ptt? -86.88 140.49 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 112.045 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -105.31 139.37 40.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.251 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.97 101.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 99' ' ' TYR . 25.2 t0 38.06 38.55 0.2 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.624 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -122.66 -58.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.227 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.451 ' CZ3' ' CG2' ' A' ' 59' ' ' VAL . 4.4 p-90 -168.13 -166.48 0.72 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.759 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -166.23 142.32 7.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.561 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.451 ' CG2' ' CZ3' ' A' ' 57' ' ' TRP . 21.6 t -102.97 152.15 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -144.01 133.56 23.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 48' ' ' THR . 7.0 mp -131.96 119.15 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.8 t -90.88 141.5 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.279 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.42 121.65 2.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.91 171.61 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.0 m -136.34 136.11 21.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.87 -37.34 20.38 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.462 2.108 . . . . 0.0 112.278 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 t80 63.51 62.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -99.92 31.11 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.17 179.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.801 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 41.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.71 83.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -71.96 103.93 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.4 t 60.42 158.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.86 62.0 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.677 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.19 -75.25 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mp -111.21 116.88 31.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.58 75.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.418 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.29 126.87 13.43 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.581 2.187 . . . . 0.0 112.274 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 165.93 41.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -163.98 31.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -132.62 93.49 3.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.04 73.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -95.97 99.13 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.7 mp 60.73 99.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.5 -68.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.17 -57.29 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.0 pt -129.77 164.87 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -71.29 88.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.46 -59.96 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.09 137.87 53.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.754 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.23 134.8 58.04 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.487 2.125 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.92 137.78 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.9 m -117.09 132.07 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -130.6 119.6 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 6.1 mp -133.65 147.48 51.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 1.0 OUTLIER -123.03 117.65 25.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.696 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.419 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 9.0 pm0 -102.03 153.12 20.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 8.2 p90 -129.89 145.46 51.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.7 p90 -142.17 84.28 11.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.43 -32.92 3.54 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.608 2.206 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.58 -27.01 34.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.27 161.13 50.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.45 -7.6 4.98 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.729 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 9.6 t -84.85 -170.6 3.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.47 19.16 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.433 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.4 t -61.84 139.64 58.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.38 97.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.223 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -92.56 148.07 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -114.24 91.37 23.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.733 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.27 149.14 56.8 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.533 2.155 . . . . 0.0 112.392 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 20.2 m-85 -156.25 137.88 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.3 136.73 5.55 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -177.55 -164.58 31.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.738 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.09 -178.92 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -170.73 -164.89 27.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.648 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.93 139.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -115.31 118.44 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -121.8 128.18 51.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 t -145.54 134.33 22.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 t -100.17 143.29 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.64 146.32 41.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.49 148.9 33.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -154.01 51.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.95 133.65 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.1 -39.0 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.37 162.26 13.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.08 141.9 55.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.9 t -135.7 174.17 10.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -100.6 109.26 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -80.54 -31.62 36.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -27.3 60.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.54 -40.16 74.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.212 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -33.93 54.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.37 45.05 96.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -121.19 124.05 43.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -35.8 62.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.985 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.84 170.49 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 23.2 mtp -74.07 167.94 20.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.79 -48.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -22.29 59.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.46 167.78 0.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -117.3 -69.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.8 m -153.79 125.63 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -164.98 123.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -135.95 -162.89 9.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.581 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.48 163.45 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -132.3 -176.27 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.84 150.04 21.47 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.59 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -149.92 117.01 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mt -147.04 130.46 16.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -179.39 -147.13 7.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.734 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -153.25 135.07 14.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -93.55 123.8 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -107.74 85.5 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.507 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.0 ptt? -74.6 141.41 44.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.812 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 tp -95.35 -35.61 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 76.42 -1.14 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.553 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -46.42 10.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.11 -35.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.52 -174.32 4.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.507 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 1.0 OUTLIER -119.07 169.02 10.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 15.2 m-85 -122.82 142.47 50.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 10.0 p30 -139.91 112.35 7.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 2.5 mtt -130.08 138.2 50.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -157.48 178.4 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 14.3 p -96.98 123.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -93.96 140.53 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.89 122.61 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 24.9 ttt -123.85 100.73 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -126.26 93.91 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.6 pt -77.01 122.28 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.67 111.49 15.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.3 p -104.21 146.45 28.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.15 143.5 28.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -148.95 167.37 25.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.63 100.48 9.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 10.7 pt -79.97 159.19 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -107.65 111.89 24.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.796 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 155.59 69.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.94 -55.12 2.14 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.664 2.243 . . . . 0.0 112.195 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 70.5 m -138.95 31.27 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -138.51 -179.89 6.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 2.3 pp -144.7 139.51 27.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 95.96 91.18 1.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.519 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 18.2 m -97.02 44.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.402 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 61.65 19.18 10.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.75 143.98 0.19 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.51 146.23 36.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -154.55 149.58 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -167.12 145.26 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.61 172.89 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 15.6 m -141.57 115.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -138.77 97.98 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.74 112.73 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.04 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.52 150.71 37.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.63 61.89 2.91 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.593 2.195 . . . . 0.0 112.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 17.3 m0 59.22 170.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.32 153.13 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.041 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -127.88 131.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -132.28 158.25 42.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 2.5 pp -135.69 133.78 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -144.18 -175.67 17.52 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -121.89 163.68 18.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.57 166.46 29.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.634 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -156.11 121.3 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 6.0 pttp -87.46 140.92 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.002 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.35 150.42 28.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.6 tt -134.91 125.88 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -92.5 -42.3 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -86.0 90.1 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -132.8 -176.61 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.7 149.66 46.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 0.36 75.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.811 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.46 129.06 37.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -119.22 125.12 48.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.8 pt -130.1 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -100.08 118.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 177.34 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.51 -166.12 15.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.27 152.46 6.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.586 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -80.03 151.22 30.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.43 -177.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -143.44 114.22 7.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -97.86 145.76 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -57.6 -63.07 4.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.972 -179.836 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 56.7 Cg_endo -70.37 160.16 50.48 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.433 2.089 . . . . 0.0 112.288 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -172.68 -53.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -108.02 -48.74 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.4 m -59.68 -70.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 t -63.91 90.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.2 t -161.02 -46.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.0 95.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.53 -69.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 tttp 53.15 37.16 24.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mt -176.58 127.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -138.89 105.28 5.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.93 -129.7 3.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.562 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.38 162.67 27.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.7 89.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -141.03 122.72 15.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -80.66 148.85 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -177.82 37.64 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.523 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -161.57 35.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -92.89 131.93 37.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.59 30.86 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 p 56.14 104.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.44 -29.78 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 62.22 174.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.3 t -158.19 36.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -172.35 121.1 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -106.81 -46.7 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.33 125.22 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -96.7 149.58 21.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.61 130.95 10.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.08 142.75 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.11 175.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.98 113.7 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.76 140.56 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.46 100.71 5.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.7 mtp -75.01 124.94 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.4 172.3 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.428 ' O ' ' HB2' ' A' ' 55' ' ' ASP . . . -59.12 154.46 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.742 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.47 -60.27 0.4 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.002 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.09 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.535 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -100.27 142.21 32.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.043 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.75 120.45 1.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.87 113.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -102.0 145.03 29.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -146.63 108.85 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.84 138.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.276 -179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.02 138.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.16 148.02 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.9 t -76.12 140.45 69.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.61 -40.18 1.15 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.54 2.16 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -145.49 108.67 4.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -147.87 105.21 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -115.67 -40.48 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -122.45 132.92 54.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 m -98.47 30.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -116.22 -39.04 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.46 149.16 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.33 -33.36 9.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.61 137.14 2.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.58 160.35 36.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.05 117.26 5.39 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.395 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.55 -42.14 57.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.414 2.076 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.19 41.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.31 158.48 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.32 138.43 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.27 148.22 7.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.558 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.49 -29.06 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.327 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 tp 63.12 38.92 10.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.6 112.49 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -164.57 173.22 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 tp -163.85 137.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -163.85 129.77 3.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.3 164.53 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.1 mp -99.64 163.03 19.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.13 137.4 54.33 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.523 2.149 . . . . 0.0 112.364 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.43 33.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.54 111.8 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -105.02 117.47 34.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.636 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.2 mt -126.17 152.96 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.5 mt -126.07 117.2 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.565 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -113.05 170.58 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -141.77 145.61 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.731 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 5.5 p90 -128.34 87.42 55.29 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.28 -45.26 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.59 2.193 . . . . 0.0 112.241 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.5 mmm -77.5 -27.07 51.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.56 144.84 36.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.54 43.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.206 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.86 -170.75 3.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -85.44 19.08 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.462 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -74.64 163.41 27.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 -27.67 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -81.48 118.01 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -108.07 82.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.68 155.2 54.43 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -168.92 149.41 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.17 155.21 26.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.594 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 160.11 -166.22 35.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.575 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -140.94 -179.01 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.779 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -158.52 -167.15 18.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.697 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.0 m -140.5 148.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -106.93 115.52 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -122.2 138.12 54.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.2 p -100.91 128.35 46.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.24 99.43 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -129.42 138.77 51.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -83.18 139.71 32.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.54 155.59 18.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.54 118.5 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.98 -40.3 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.64 -31.44 70.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.02 145.92 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.84 31.37 6.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -88.31 -30.48 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -52.62 59.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -58.97 -28.3 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.2 68.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -62.92 -30.95 71.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.74 45.03 23.61 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -99.54 170.39 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.3 m -75.05 -59.01 2.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.045 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.45 152.27 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.6 ttp -103.68 -54.93 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.7 tttp 60.96 109.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.02 161.53 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 61.71 93.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.04 -50.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.5 t -80.77 100.05 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -164.22 121.03 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -142.57 -168.13 11.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.656 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.8 pp -130.81 137.21 49.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -113.51 153.24 29.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.423 ' HA3' ' CD1' ' A' ' 168' ' ' TYR . . . -116.56 159.37 13.96 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.647 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -156.01 118.35 4.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.2 mt -155.06 125.23 6.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.05 -144.97 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.563 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -149.14 161.61 41.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.913 0.387 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -112.11 144.74 40.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.836 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' TYR . . . . . 0.424 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.6 OUTLIER -120.01 85.2 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.431 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' MET . . . . . 0.607 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.7 ptt? -79.75 146.11 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.05 -28.68 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.9 t30 75.86 3.96 3.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.669 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -48.05 9.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.135 0.493 . . . . 0.0 110.484 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -138.49 -36.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.7 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -165.88 -172.94 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.607 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -117.2 173.18 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.424 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -119.34 149.98 40.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.32 121.1 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 3.1 mtt -132.54 118.79 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.714 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -156.59 -178.36 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.72 142.07 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 3.7 t90 -115.96 111.75 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' TYR . . . . . 0.423 ' CD1' ' HA3' ' A' ' 148' ' ' GLY . 23.4 m-85 -77.89 137.89 38.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 161.31 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.53 167.03 10.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 7.7 mt -87.74 126.51 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -123.34 146.24 48.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 81.7 p -68.27 129.25 39.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.28 175.5 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -127.53 156.52 42.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.4 m 60.55 179.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.7 pt -125.98 148.62 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -89.6 132.68 34.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -169.9 -61.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.2 142.56 45.39 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.584 2.189 . . . . 0.0 112.265 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.5 m -82.39 -44.65 15.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -110.64 164.81 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -177.41 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -147.47 170.19 28.29 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.96 97.92 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -132.01 -49.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.34 31.45 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.7 t -160.22 124.66 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -119.12 -42.79 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 12.1 p -105.83 113.69 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.08 157.94 19.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 3.6 m -106.9 81.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.28 90.94 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 14.8 p -109.7 38.69 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.33 85.68 1.72 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -79.77 3.34 7.65 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.639 2.226 . . . . 0.0 112.837 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 66.81 62.08 0.51 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 110.745 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 9.4 m -83.91 105.87 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -145.78 138.77 25.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.88 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.6 pt -142.85 113.5 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -129.33 -161.41 10.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.6 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -121.81 167.46 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -152.45 145.31 12.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.532 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -134.35 131.18 38.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -97.4 133.83 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.16 153.35 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 18.7 tp -107.69 149.97 27.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -92.28 153.75 19.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.927 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.796 0.331 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.39 -171.29 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.535 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -78.79 141.34 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.06 1.98 58.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.782 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.2 136.25 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -99.86 123.2 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.523 HD11 ' CG2' ' A' ' 50' ' ' THR . 1.7 pt -142.46 130.24 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.494 HD13 ' HB2' ' A' ' 205' ' ' TYR . 3.5 mp -97.67 141.59 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.18 104.7 9.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.12 171.51 25.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.413 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.9 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . 177.13 161.97 26.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -153.67 142.9 21.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.805 HG22 ' HA ' ' A' ' 62' ' ' VAL . 30.6 p -137.01 152.34 50.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.6 109.46 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.523 ' CG2' HD11 ' A' ' 8' ' ' ILE . 27.7 m -103.67 144.47 31.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.09 97.91 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 129.64 42.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.08 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.7 t80 -117.55 168.38 10.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.535 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -54.81 157.74 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.059 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER 78.66 -63.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.603 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.71 41.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.449 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 23.7 m0 -106.98 168.88 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.149 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.1 130.5 1.94 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 96' ' ' LEU . 28.9 t -101.94 112.02 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -112.28 139.14 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 94' ' ' LEU . 6.5 tt -120.17 129.22 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.604 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.805 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.7 t -90.78 129.83 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.08 129.42 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.508 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.875 0.281 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.09 134.82 47.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -130.35 128.49 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 61' ' ' LEU . 8.1 mt -118.69 125.27 49.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.37 137.69 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' CD2' HG22 ' A' ' 59' ' ' VAL . 46.3 mt -91.78 132.08 36.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.716 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -102.05 143.78 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -126.14 126.45 44.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -106.4 78.51 0.53 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.204 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.61 -46.15 1.4 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.194 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -27.08 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.0 112.23 4.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 104' ' ' THR . . . 155.6 57.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.255 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -171.12 -170.72 0.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.838 0.351 . . . . 0.0 110.63 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.67 19.25 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.0 t -64.61 142.58 58.37 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.86 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.499 ' CZ ' ' CD2' ' A' ' 154' ' ' TYR . 12.3 m-85 -89.54 139.11 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -110.83 85.16 4.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.784 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 59.1 Cg_endo -71.94 149.33 53.07 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.599 2.199 . . . . 0.0 112.405 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -155.77 142.99 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.79 144.8 12.64 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.582 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.54 -166.17 28.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 177.27 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.42 -165.03 32.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.4 157.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.584 ' HA ' HG23 ' A' ' 93' ' ' THR . 24.2 t-20 -113.91 136.15 53.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.992 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 179.911 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.99 120.21 23.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.07 151.4 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.87 152.72 22.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 167' ' ' TRP . 0.0 OUTLIER -145.72 117.24 8.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.35 118.38 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -166.25 -144.91 4.26 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.767 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 16.7 m-85 -136.15 176.98 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.437 ' OD2' ' ND2' ' A' ' 163' ' ' ASN . 8.1 t70 -140.19 117.52 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -112.18 85.68 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.008 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.487 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.8 ptt? -84.62 152.8 23.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.7 -28.15 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.06 4.33 4.22 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.536 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.39 -48.11 9.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.428 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -135.14 -35.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -163.97 -173.04 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.487 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.2 OUTLIER -116.85 163.94 15.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -110.82 134.42 52.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.437 ' ND2' ' OD2' ' A' ' 153' ' ' ASP . 8.6 m120 -128.21 111.33 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -123.54 124.57 43.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.64 170.86 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.467 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 198' ' ' VAL . 33.3 m -96.93 129.29 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.776 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.469 ' O ' HG11 ' A' ' 198' ' ' VAL . 0.1 OUTLIER -114.73 142.18 46.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.66 153.54 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.738 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 103.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 166' ' ' VAL . 28.5 t . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.768 0.318 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.74 140.21 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.48 143.29 47.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 201' ' ' ILE . 2.7 pp -134.85 147.91 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.41 -165.53 22.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -122.0 -178.09 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.673 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -154.66 164.41 31.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.494 ' HB2' HD13 ' A' ' 9' ' ' ILE . 5.5 m-85 -135.99 143.11 44.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -105.49 113.99 27.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -147.46 138.38 23.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -78.99 115.95 18.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.58 5.14 34.27 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.818 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.04 126.9 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -89.93 121.03 31.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.506 HG23 ' HA ' ' A' ' 206' ' ' LYS . 22.0 mt -133.29 142.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.414 ' CG1' ' CE1' ' A' ' 49' ' ' PHE . 3.7 mp -106.22 135.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.59 102.07 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.57 -168.46 44.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.581 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.465 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -86.19 142.95 19.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 144.37 49.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -137.18 145.51 43.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' CG1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -123.39 108.93 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 t -102.85 149.11 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.296 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -123.16 92.23 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.01 131.41 48.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 15.5 t80 -117.98 162.84 17.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -58.25 161.59 4.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.75 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.93 -61.05 0.36 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.012 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.77 40.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.603 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.7 m-90 -107.76 162.59 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.967 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.16 146.18 9.41 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.458 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.56 111.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.795 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.98 149.38 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 48' ' ' THR . 5.8 mp -130.66 129.47 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.728 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 t -95.12 135.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.276 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 130.05 2.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.207 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.464 -0.222 0 CA-C-O 120.809 0.254 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.52 110.58 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.0 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -87.69 137.68 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.14 127.16 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.637 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 115' ' ' GLY . 0.6 OUTLIER -132.56 134.41 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.234 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.94 124.48 33.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.56 137.02 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.437 ' HH ' ' HE1' ' A' ' 57' ' ' TRP . 20.5 m-85 -136.69 144.15 43.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.663 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -117.05 83.27 14.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.28 -52.12 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.757 2.304 . . . . 0.0 112.504 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.418 ' HE3' ' HB3' ' A' ' 110' ' ' PRO . 5.5 ptt? -120.19 33.05 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.69 114.51 3.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.343 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.23 43.1 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.262 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 p -135.03 -170.41 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.768 0.318 . . . . 0.0 110.432 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.3 19.24 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.359 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 p -82.09 130.14 35.0 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 110.799 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.53 -62.95 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' A' ' 108' ' ' PHE . 12.7 p90 -70.94 119.76 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 107.14 17.81 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.168 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HB3' ' HE3' ' A' ' 101' ' ' MET . 59.6 Cg_endo -71.94 153.18 58.12 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.445 2.097 . . . . 0.0 112.016 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.512 ' OH ' ' HB2' ' A' ' 165' ' ' ALA . 15.1 p90 -163.61 146.28 9.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 98' ' ' TYR . . . -153.93 155.05 25.92 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.243 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.32 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.667 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.3 -178.89 3.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 95' ' ' LEU . . . -157.94 171.23 34.94 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.762 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.3 p -155.06 147.67 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -110.81 127.47 55.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.35 -0.3 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -174.55 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.007 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.03 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -136.33 157.18 23.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.873 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.06 116.84 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.538 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 4.3 mp -149.82 133.32 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.47 -144.89 7.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.617 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -146.16 129.39 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -96.69 113.99 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 3.1 t80 -104.0 85.67 2.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.394 . . . . 0.0 111.217 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.538 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -76.66 142.46 40.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.948 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -31.87 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.96 -0.43 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.803 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.54 -48.0 9.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -134.41 -36.87 0.87 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.721 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -161.14 -173.04 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.787 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.9 pp -116.81 170.53 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -122.82 129.33 51.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -120.53 122.78 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.402 ' HG3' ' CG1' ' A' ' 201' ' ' ILE . 0.3 OUTLIER -137.68 117.13 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.65 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.538 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -156.18 176.04 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.452 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.797 HG12 ' HB3' ' A' ' 199' ' ' TYR . 32.7 m -96.84 116.62 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.74 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.4 110.21 22.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.47 128.46 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.81 163.96 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.088 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.898 0.38 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.797 ' HB3' HG12 ' A' ' 166' ' ' VAL . 2.3 p90 -145.83 143.09 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.99 155.74 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 201' ' ' ILE . 3.0 mp -120.28 147.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -147.47 -167.1 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.562 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.4 150.57 28.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.721 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -155.23 -157.01 8.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.437 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -137.97 146.64 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.506 ' HA ' HG23 ' A' ' 8' ' ' ILE . 17.0 tttm -105.07 135.27 46.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -156.09 -177.57 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -85.14 139.77 31.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' CE1' ' A' ' 7' ' ' PHE . . . 102.11 -1.98 51.18 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.756 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.94 150.37 29.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 5' ' ' GLY . 19.0 m-85 -119.01 115.45 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 205' ' ' TYR . 3.9 mp -124.9 128.18 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.747 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.9 mt -96.51 106.47 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.226 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HA ' ' HA2' ' A' ' 204' ' ' GLY . 0.4 OUTLIER -96.53 160.32 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.711 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 203' ' ' PHE . . . -149.92 -162.38 10.44 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.606 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.438 ' HA2' ' HA2' ' A' ' 202' ' ' GLY . . . . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.535 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 45' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.813 0.339 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.436 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -75.03 143.12 30.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.361 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.747 HD21 ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -131.0 144.96 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.278 . . . . 0.0 110.734 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.877 HG22 ' HA ' ' A' ' 62' ' ' VAL . 70.3 p -140.3 157.88 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.5 120.32 38.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.85 127.4 53.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -109.93 86.49 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.75 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.99 130.43 46.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -113.73 -176.46 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -54.14 153.42 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.066 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.9 -61.56 0.49 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.824 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER 164.61 39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.968 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CE2' ' HB3' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -83.82 -174.86 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.632 179.778 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 121.42 0.57 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.597 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.917 HG22 HD23 ' A' ' 96' ' ' LEU . 22.1 t -101.72 111.75 32.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.854 0.359 . . . . 0.0 110.671 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.22 140.86 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 ' HG ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -127.29 132.72 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.641 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.877 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.4 t -91.32 125.53 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.15 131.08 2.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 111.216 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.832 0.263 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.27 104.95 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.1 m -101.72 146.15 28.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.479 ' HG ' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.79 148.13 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 149' ' ' GLU . 4.5 tt -159.2 123.95 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.38 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.917 HD23 HG22 ' A' ' 59' ' ' VAL . 1.4 mt -91.96 115.71 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.392 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -101.97 149.96 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 57' ' ' TRP . 25.8 p90 -150.09 138.61 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.605 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' A' ' 56' ' ' LYS . 36.0 p90 -49.2 106.55 0.64 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.06 -47.36 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.397 2.065 . . . . 0.0 112.23 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 26.3 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.98 117.71 5.76 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.16 44.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.246 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -170.58 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.612 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -84.47 19.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.448 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 52.9 p -79.04 135.98 37.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.842 0.353 . . . . 0.0 110.807 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.83 -32.65 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 106' ' ' SER . 24.6 p90 -73.22 151.7 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -100.53 96.98 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.04 137.47 41.06 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.451 2.101 . . . . 0.0 112.235 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.79 138.02 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.818 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -152.86 150.3 22.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.386 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.83 -164.85 36.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.744 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.56 179.31 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.718 0.294 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -179.2 -164.98 32.72 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.69 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 117' ' ' ASN . 33.1 t -113.32 154.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.773 0.32 . . . . 0.0 111.037 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 116' ' ' VAL . 1.6 t-20 -120.91 128.57 52.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.81 122.36 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 156.51 17.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.08 138.27 10.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.719 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.634 ' HG3' HD13 ' A' ' 95' ' ' LEU . 56.0 mt-10 -134.69 116.86 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.818 HD23 ' HA3' ' A' ' 112' ' ' GLY . 4.6 mt -144.68 130.97 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 173.49 -145.02 8.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.69 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -142.2 169.48 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.28 115.16 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 8.9 t80 -104.74 85.66 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.144 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.542 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 7.4 ptt? -65.61 148.35 51.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.87 -36.98 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.9 t30 78.66 -2.51 2.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.724 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.32 -48.08 9.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.097 0.475 . . . . 0.0 110.473 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.81 -36.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.701 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -164.77 -172.95 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.631 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.9 pp -116.94 166.77 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.974 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -108.45 137.21 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 111.009 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.73 111.23 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.9 ttp -128.75 138.28 52.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.55 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -168.8 176.96 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 199' ' ' TYR . 35.2 m -96.92 117.7 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -92.72 110.51 21.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.46 128.31 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -68.89 148.56 50.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 166' ' ' VAL . 31.5 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.77 0.319 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.557 ' CD1' HG12 ' A' ' 166' ' ' VAL . 6.5 m-85 -124.32 144.91 49.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.88 128.27 40.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mt -105.07 144.45 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 202' ' ' GLY . . . . . 0.438 ' HA2' ' HA2' ' A' ' 12' ' ' GLY . . . -157.99 -167.76 19.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.653 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 203' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 11' ' ' GLY . 42.2 p90 -121.94 176.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.462 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -159.86 171.91 36.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.623 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 8' ' ' ILE . 11.0 t80 -155.26 153.13 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.46 129.8 55.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 207' ' ' PHE . . . . . 0.626 ' CD2' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.831 0.348 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -163.77 165.7 22.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -73.76 116.6 14.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.418 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 106.7 5.25 36.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.839 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.503 ' OD2' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -59.66 123.68 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.23 109.45 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.503 HD11 ' OD2' ' A' ' 6' ' ' ASP . 3.0 mp -131.9 117.62 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.37 132.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.03 164.49 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.33 138.31 2.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.55 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.773 0.32 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.58 142.53 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mp -122.18 151.05 41.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -148.39 143.3 26.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -113.73 117.39 31.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.682 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.4 m -107.89 131.21 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 7.1 t80 -122.85 90.37 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 134.96 56.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -121.22 156.11 33.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -59.28 154.53 16.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.639 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 6.4 m-20 83.8 -60.84 0.11 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.312 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 159.79 43.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.414 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 30.2 m95 -127.92 -175.31 3.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.497 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.09 176.18 34.86 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.825 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.46 150.9 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.706 0.288 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -138.6 118.92 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -118.16 138.02 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.611 HG21 ' HE1' ' A' ' 167' ' ' TRP . 21.4 t -127.51 126.83 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.39 155.26 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.926 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.799 0.25 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -159.08 146.99 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -119.81 135.23 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mp -128.17 124.01 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 115' ' ' GLY . 0.9 OUTLIER -138.1 154.61 49.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.42 150.79 19.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -101.75 144.74 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 57.5 t80 -150.0 125.51 10.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.2 p90 -132.58 90.26 33.65 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.796 0.331 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 98' ' ' TYR . 72.3 Cg_endo -77.13 -44.3 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.676 2.251 . . . . 0.0 112.258 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 73.0 mtm -102.84 28.44 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.14 131.89 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.71 43.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.214 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 -170.43 3.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -83.36 19.19 1.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.539 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -61.44 153.77 26.2 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.41 -52.83 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -96.7 146.71 24.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -116.75 87.6 22.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.3 148.8 68.85 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.507 2.138 . . . . 0.0 112.264 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.76 137.97 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.15 146.05 16.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.386 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.01 159.58 24.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.752 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.42 123.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.703 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.595 ' N ' HD23 ' A' ' 95' ' ' LEU . . . -161.65 -164.83 17.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.559 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.8 m -115.78 159.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 3.4 t-20 -130.86 126.9 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 118' ' ' TYR . 3.3 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.04 132.75 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 117' ' ' ASN . . . -117.31 151.55 36.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.52 156.16 27.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.18 136.14 18.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.436 ' C ' HD23 ' A' ' 150' ' ' LEU . 7.5 tt -145.78 126.74 14.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.402 ' N ' HD23 ' A' ' 150' ' ' LEU . . . -168.05 -144.99 4.37 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.88 152.47 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 163' ' ' ASN . 28.2 m-20 -121.42 122.9 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.696 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 41.9 t80 -106.52 85.16 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.001 0.429 . . . . 0.0 111.217 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.918 ' HB2' HD22 ' A' ' 161' ' ' LEU . 1.5 ptt? -66.51 140.36 57.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.828 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.28 -36.96 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.42 -4.27 2.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -85.37 -48.01 9.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.034 0.445 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -134.55 -35.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.626 ' C ' HD23 ' A' ' 161' ' ' LEU . . . -165.63 -172.91 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.918 HD22 ' HB2' ' A' ' 155' ' ' MET . 1.7 mt -117.0 169.3 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -113.21 138.87 49.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.455 ' ND2' ' OD1' ' A' ' 153' ' ' ASP . 1.9 t-20 -131.73 110.33 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 87.8 mtp -130.75 126.89 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -163.86 164.54 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 198' ' ' VAL . 23.6 t -97.02 122.6 48.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.611 ' HE1' HG21 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -89.93 149.14 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -130.38 101.86 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.3 mtp -99.11 133.74 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.883 ' O ' HG13 ' A' ' 166' ' ' VAL . 6.8 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -146.13 141.18 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.44 ' CB ' ' CE3' ' A' ' 167' ' ' TRP . 3.3 tpt -130.43 123.53 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.9 tt -127.36 146.47 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.94 20.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -122.48 -178.78 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.63 148.22 19.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -136.54 138.96 41.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.312 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -109.02 141.04 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.4 m80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.41 -173.1 2.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.507 ' HB2' ' H ' ' A' ' 54' ' ' ALA . . . -69.01 148.84 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.89 -2.06 66.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.749 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.414 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 0.4 OUTLIER -59.56 141.76 54.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -108.2 121.51 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 206' ' ' LYS . 11.8 pt -144.62 144.81 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.455 HD11 ' CE2' ' A' ' 205' ' ' TYR . 1.9 pp -113.96 145.67 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.249 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.562 ' NE ' HD11 ' A' ' 161' ' ' LEU . 12.6 mmt85 -131.39 112.56 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.92 -178.79 35.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 202' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.688 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.14 154.1 45.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.16 134.33 55.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.626 HG23 HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -114.73 136.07 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -101.04 116.04 31.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.2 146.03 31.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.34 107.04 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.703 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.414 ' HB2' ' CB ' ' A' ' 6' ' ' ASP . 16.6 mtt -69.75 127.89 34.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.2 m-85 -118.28 165.44 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.507 ' H ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.92 154.03 19.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.793 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.8 OUTLIER 79.4 -61.41 0.32 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.904 179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 162.37 44.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.958 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.407 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.2 m-90 -102.51 144.8 30.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.196 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.35 125.35 2.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.254 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.616 ' HA ' HD23 ' A' ' 96' ' ' LEU . 21.6 t -101.77 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.47 139.69 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD11 ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -136.81 107.62 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.382 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.626 HG12 HG23 ' A' ' 48' ' ' THR . 32.3 m -90.78 119.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 111.455 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.18 -175.32 3.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.973 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.969 0.32 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.0 148.81 22.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.669 HG23 ' HA ' ' A' ' 117' ' ' ASN . 86.9 m -132.54 143.81 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 94' ' ' LEU . 3.6 mp -115.64 143.13 45.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.759 HD13 ' HG3' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -149.46 142.95 25.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.153 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 59' ' ' VAL . 58.2 mt -118.53 111.15 18.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.244 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.82 153.18 20.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.422 . . . . 0.0 111.107 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 19.9 m-85 -122.59 140.36 52.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.752 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 p90 -123.77 87.3 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.35 -51.74 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.415 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.36 -27.05 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.55 118.44 14.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.377 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.66 44.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.202 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.667 HG23 ' H ' ' A' ' 106' ' ' SER . 10.2 t -144.48 -170.38 3.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 110.667 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.07 19.11 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.54 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.667 ' H ' HG23 ' A' ' 104' ' ' THR . 6.6 t -86.64 153.95 21.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.781 0.324 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.22 -30.33 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -77.37 131.48 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -128.34 90.35 47.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 152' ' ' PHE . 55.4 Cg_endo -70.19 146.5 57.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.611 2.208 . . . . 0.0 112.372 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.79 137.99 28.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.67 136.65 5.48 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.76 ' C ' HD22 ' A' ' 114' ' ' LEU . . . -179.15 -164.78 32.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.996 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.76 HD22 ' C ' ' A' ' 113' ' ' GLY . 4.3 mm? -133.57 -178.82 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 110.897 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.99 -164.89 32.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.715 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.39 143.82 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.669 ' HA ' HG23 ' A' ' 93' ' ' THR . 0.8 OUTLIER -108.91 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.04 140.76 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.1 151.88 33.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.564 ' HA2' HD21 ' A' ' 95' ' ' LEU . . . -152.68 148.23 18.84 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.759 ' HG3' HD13 ' A' ' 95' ' ' LEU . 8.8 mt-10 -145.74 121.41 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.23 118.74 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -175.29 -144.91 5.2 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.625 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 110' ' ' PRO . 29.2 p90 -150.53 149.4 29.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.092 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.51 114.95 29.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.705 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 89.0 t80 -99.02 85.69 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.585 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.1 ptp -71.11 144.61 50.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.407 HD22 ' CG ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -94.66 -34.45 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 t30 77.26 -0.94 2.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.407 ' CG ' HD22 ' A' ' 156' ' ' LEU . 11.2 mm-40 -85.44 -48.09 9.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 110.525 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -136.75 -35.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -161.48 -172.81 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.6 pp -116.95 168.77 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.748 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -118.76 142.99 47.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 111.108 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -125.6 117.44 23.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.64 128.52 42.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.5 175.02 8.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.89 126.21 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -99.31 136.71 38.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -129.11 139.42 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.0 112.34 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.086 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.768 0.318 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -137.64 154.07 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 4.0 tpt -114.03 127.52 55.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 201' ' ' ILE . 14.2 tt -147.09 114.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 202' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 12' ' ' GLY . . . -143.33 -167.15 11.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.68 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -160.48 131.56 5.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.195 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.557 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -144.31 -156.99 7.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.48 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.455 ' CE2' HD11 ' A' ' 9' ' ' ILE . 9.7 p90 -158.93 143.71 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.683 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -88.52 140.99 28.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 m170 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.11 -168.91 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.08 45.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.42 1.66 50.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.83 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 122.76 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.772 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -87.21 120.36 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 7' ' ' PHE . 27.7 mm -130.22 124.16 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 tt -99.55 150.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -135.38 149.38 49.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.75 138.73 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.838 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.561 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' A' ' 12' ' ' GLY . 9.2 tt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.34 137.39 13.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.551 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.03 128.54 56.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.345 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.699 HG23 ' C ' ' A' ' 61' ' ' LEU . 61.7 m -133.06 136.73 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -101.52 128.95 47.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.504 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -127.64 113.79 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.211 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.42 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 5.6 t80 -86.74 120.62 28.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.343 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.34 116.64 17.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.516 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 1.6 m-85 -102.67 168.87 8.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.9 150.23 2.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 74.29 -62.99 0.44 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 10.4 mttt 164.37 37.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.104 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.733 ' HZ2' HD23 ' A' ' 96' ' ' LEU . 4.3 t90 -99.4 179.02 4.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.701 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 166.19 165.18 23.12 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.405 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.53 112.2 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.79 131.39 42.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.083 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.699 ' C ' HG23 ' A' ' 48' ' ' THR . 6.2 tt -137.13 109.1 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 48' ' ' THR . 10.3 p -90.95 146.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.42 134.87 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.753 0.23 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.82 139.62 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 117' ' ' ASN . 87.0 m -135.23 130.74 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 95' ' ' LEU . 8.4 tt -126.42 154.96 42.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 94' ' ' LEU . 2.3 pp -162.97 149.23 12.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.733 HD23 ' HZ2' ' A' ' 57' ' ' TRP . 6.3 mp -96.78 124.58 40.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.18 125.3 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.235 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.457 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 40.7 p90 -131.4 137.76 48.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.558 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.541 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 38.8 p90 -56.33 106.41 0.67 Allowed Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.52 -52.23 0.28 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 111.92 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -121.93 -26.28 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.1 152.11 5.35 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.843 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.06 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.281 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p -152.46 -170.66 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.5 19.15 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.593 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.0 p -63.55 161.4 14.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.57 -57.9 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -70.98 153.21 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -113.58 90.91 19.03 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 111' ' ' TYR . 31.8 Cg_exo -58.24 161.85 13.02 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.598 2.199 . . . . 0.0 112.341 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 12.2 m-85 -166.18 138.01 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -151.96 157.85 27.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.33 -166.74 39.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.02 172.21 16.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.17 -164.93 28.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.23 140.0 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.436 ' HA ' HG23 ' A' ' 93' ' ' THR . 2.0 t30 -107.1 137.84 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.73 115.34 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 167.2 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -147.46 160.83 28.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.596 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -153.87 116.93 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.786 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.522 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 3.9 mp -143.92 133.5 23.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.28 -145.08 8.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -147.01 145.77 29.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.77 114.36 28.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -97.13 85.74 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.883 ' HB3' HD23 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -65.08 153.11 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -108.01 -41.33 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 78.81 -5.61 2.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.725 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.447 ' HB2' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -85.48 -42.74 14.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 110.551 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -143.05 -35.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.28 -172.98 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 155' ' ' MET . 2.0 mp -117.03 173.13 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.19 145.87 42.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -137.6 107.98 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.561 ' CG ' HG22 ' A' ' 201' ' ' ILE . 1.3 tmt? -125.81 126.18 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -161.32 176.44 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 198' ' ' VAL . 13.9 p -97.01 120.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -89.96 116.41 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.08 116.1 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.95 160.22 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 166' ' ' VAL . 15.3 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.26 148.57 29.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 143.73 51.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.561 HG22 ' CG ' ' A' ' 164' ' ' MET . 42.1 pt -138.46 151.18 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.12 -163.35 21.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -121.99 171.12 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.45 163.99 29.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.544 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.93 139.19 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 135.09 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.893 0.378 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -128.54 -167.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.562 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -83.98 125.8 32.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.71 2.3 27.23 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.82 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' HB3' ' A' ' 52' ' ' MET . 0.6 OUTLIER -71.6 148.75 46.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.783 0.325 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -121.45 112.52 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 8' ' ' ILE . 3.7 mp -115.97 130.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 tt -101.67 138.06 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.1 157.18 44.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.81 142.05 3.4 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.31 152.3 20.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.86 145.07 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.911 HG22 ' HA ' ' A' ' 62' ' ' VAL . 72.9 p -140.23 159.89 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 3.9 m-85 -125.27 116.47 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -96.59 146.46 24.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.41 90.39 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.401 ' HB2' HD11 ' A' ' 8' ' ' ILE . 12.3 tpt -60.67 127.03 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -112.58 178.68 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -56.63 153.06 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.863 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 78.54 -61.78 0.35 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.706 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 162.68 39.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.635 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.814 ' CD1' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -88.87 169.84 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.716 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.92 119.98 0.75 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.668 HG22 ' HG ' ' A' ' 96' ' ' LEU . 25.1 t -106.14 111.86 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -104.19 134.73 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 94' ' ' LEU . 1.1 tt -114.47 138.09 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.747 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.911 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.2 t -99.0 133.12 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.05 128.15 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.833 0.264 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -134.65 135.73 42.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 116' ' ' VAL . 33.5 m -132.35 126.13 32.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 61' ' ' LEU . 4.2 mp -113.0 138.04 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -150.91 142.21 23.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.025 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.814 HD21 ' CD1' ' A' ' 57' ' ' TRP . 1.7 tt -112.92 119.71 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.486 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 1.1 pt20 -117.15 154.16 31.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.008 0.432 . . . . 0.0 111.148 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -115.86 144.54 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.815 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.36 97.11 6.9 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.46 -38.12 11.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.436 2.09 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -120.65 32.72 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -111.39 100.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.82 44.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.88 -170.73 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.575 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.08 19.19 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.418 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.1 m -70.02 -177.92 1.47 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.03 -57.3 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -83.94 137.98 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' CG ' ' HB3' ' A' ' 153' ' ' ASP . 4.1 pt20 -117.09 94.09 43.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.65 141.47 27.79 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -151.52 153.02 33.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.468 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.465 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -160.05 156.84 28.1 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.034 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . 175.25 -164.82 35.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.652 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -179.02 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.629 ' O ' HD13 ' A' ' 146' ' ' LEU . . . 177.83 -172.29 44.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 93' ' ' THR . 26.4 m -116.51 150.77 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.832 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 20.7 t-20 -131.33 126.09 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.76 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -97.54 126.55 42.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.832 ' HB2' ' HB2' ' A' ' 117' ' ' ASN . . . -109.34 162.99 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 168' ' ' TYR . . . -156.87 170.28 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.574 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.629 ' HB2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -156.09 132.86 10.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.465 HD23 ' HA3' ' A' ' 112' ' ' GLY . 1.9 mt -150.74 127.48 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 171.87 -144.93 8.38 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.608 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -160.94 156.92 25.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.402 ' HB3' ' CG ' ' A' ' 109' ' ' GLN . 10.1 t70 -109.96 114.61 28.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' A' ' 154' ' ' TYR . 29.1 p90 -105.53 94.66 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.583 ' HB3' HD23 ' A' ' 161' ' ' LEU . 7.3 ptt? -77.23 147.28 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 11.0 mp -89.85 -21.73 22.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.581 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 4.7 m120 68.24 5.86 4.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -48.65 8.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.11 0.481 . . . . 0.0 110.477 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.66 -33.86 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.42 -172.22 4.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.828 0.347 . . . . 0.0 111.352 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 155' ' ' MET . 3.8 mp -116.0 163.47 15.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.402 ' CE1' HD11 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -118.3 130.77 56.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.915 0.388 . . . . 0.0 111.177 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.73 136.97 49.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.65 127.8 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.49 169.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 166' ' ' VAL . 33.6 m -96.89 120.72 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.97 112.61 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.406 ' HB2' ' N ' ' A' ' 148' ' ' GLY . 26.0 m-85 -77.9 111.65 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 44.8 mmm -68.84 162.67 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.893 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.825 0.345 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.57 143.43 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tpt -116.95 133.67 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.402 HD11 ' CE1' ' A' ' 162' ' ' PHE . 11.7 tt -124.47 127.61 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.09 -158.86 8.14 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -122.02 167.7 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.82 167.29 30.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.635 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.402 ' HA ' HD13 ' A' ' 161' ' ' LEU . 4.6 m-85 -147.02 134.25 20.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -88.07 133.52 33.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.937 0.399 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 174.7 9.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.04 133.93 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.56 5.25 48.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.837 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.65 128.78 38.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.01 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -101.2 104.94 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.3 mm -119.58 124.02 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -94.99 125.04 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -108.81 161.17 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 140.36 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.234 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.688 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.46 146.0 18.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -118.48 144.9 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 10' ' ' ARG . 97.6 m -145.57 130.08 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -90.67 114.74 27.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.439 HG23 ' HG3' ' A' ' 60' ' ' GLU . 15.7 m -100.21 145.88 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.01 104.09 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.41 135.14 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -127.05 159.37 34.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.66 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.35 161.85 8.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 4.2 m-20 79.71 -58.94 0.36 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 159.81 39.15 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -101.78 140.93 35.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.159 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -148.5 120.01 1.14 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.481 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.47 117.29 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.8 mt-10 -125.26 118.65 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 94' ' ' LEU . 2.4 mt -115.05 119.71 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.441 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 95' ' ' LEU . 24.0 t -90.82 138.3 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.394 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 -174.93 3.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.466 -0.136 0 CA-C-O 120.776 0.24 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -148.16 108.97 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 117' ' ' ASN . 21.3 m -116.41 127.92 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.546 HD12 HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -108.67 145.25 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.634 ' CD1' HG23 ' A' ' 62' ' ' VAL . 3.2 mp -142.21 121.2 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 1.9 mt -91.95 136.09 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.437 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.522 ' NE2' ' CE1' ' A' ' 111' ' ' TYR . 2.3 mm100 -116.88 140.73 49.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.95 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -128.73 124.57 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 12.8 p90 -134.37 84.78 39.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.04 -51.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 0.0 112.643 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -123.41 -27.24 4.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.322 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.55 -113.52 4.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.77 44.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.253 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.595 HG21 ' HB2' ' A' ' 108' ' ' PHE . 20.4 p -147.33 -170.7 3.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.283 . . . . 0.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -83.63 19.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.552 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 75.61 9.86 3.51 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.536 0.208 . . . . 0.0 111.304 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.48 -32.65 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.604 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.595 ' HB2' HG21 ' A' ' 104' ' ' THR . 32.6 m-85 -99.37 153.53 18.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.08 80.4 0.51 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 108' ' ' PHE . 73.2 Cg_endo -73.95 156.1 47.88 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.623 2.215 . . . . 0.0 112.424 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.522 ' CE1' ' NE2' ' A' ' 97' ' ' GLN . 5.8 p90 -163.29 146.19 10.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.43 139.75 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.305 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 96' ' ' LEU . . . -176.35 -164.65 30.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.715 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 mp -147.73 173.78 12.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 111.064 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -165.66 -164.83 21.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 118' ' ' TYR . 20.8 t -121.18 139.53 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.436 ' CB ' HG23 ' A' ' 93' ' ' THR . 55.8 t-20 -121.82 113.98 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.505 ' CE2' HG11 ' A' ' 116' ' ' VAL . 14.0 m-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.375 -0.29 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.43 134.63 45.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.59 170.52 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.337 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -140.37 151.91 22.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.446 ' CD ' HD22 ' A' ' 95' ' ' LEU . 2.3 tt0 -146.29 123.41 11.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.518 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 0.7 OUTLIER -149.82 125.88 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.775 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -172.33 -147.85 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 152' ' ' PHE . 0.7 OUTLIER -145.68 148.78 33.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.42 134.83 47.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.998 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -128.22 85.77 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.676 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.527 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -80.11 153.06 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.306 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.3 -27.88 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 74.04 4.35 4.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.29 -48.09 9.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 0.0 110.6 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.36 -35.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.757 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.42 -172.93 3.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.584 HD12 ' OD1' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -116.98 169.15 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -110.72 144.52 39.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 161' ' ' LEU . 2.9 m120 -140.72 114.13 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.712 ' CB ' HG22 ' A' ' 201' ' ' ILE . 4.8 ptm -133.75 145.8 50.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.518 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -169.05 178.58 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 198' ' ' VAL . 21.4 t -96.87 130.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -106.89 136.65 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.49 137.44 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.497 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -148.65 105.54 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 111.071 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.773 0.32 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -125.52 142.47 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 6.5 ttp -125.86 149.24 48.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.712 HG22 ' CB ' ' A' ' 164' ' ' MET . 23.6 pt -127.49 160.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -169.12 -166.1 27.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.413 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -126.26 175.96 7.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -163.3 174.73 39.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.667 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -134.93 127.53 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -109.19 141.01 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 169.62 24.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.56 134.25 46.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.14 5.06 60.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.764 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.41 124.19 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -85.04 104.93 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -112.62 129.52 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.001 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 205' ' ' TYR . 12.6 pt -101.1 116.99 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' NH1' HG21 ' A' ' 50' ' ' THR . 0.3 OUTLIER -109.53 153.42 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.99 -161.99 9.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.12 147.63 19.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.65 141.48 47.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.598 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' ' 62' ' ' VAL . 1.7 p -148.68 139.26 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.93 167.1 14.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.443 HG21 ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -154.33 113.53 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 111.435 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.538 ' HB2' HG12 ' A' ' 59' ' ' VAL . 4.9 m-85 -93.27 85.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.079 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.7 ttm -62.3 121.31 12.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.634 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.457 ' HB3' ' H ' ' A' ' 57' ' ' TRP . 3.0 t80 -98.82 127.63 44.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.26 94.78 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' ALA . 4.6 m-20 28.85 60.5 0.13 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.14 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.74 -36.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.487 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.457 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -157.54 -175.66 5.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.231 0.539 . . . . 0.0 111.72 -179.558 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.74 119.61 0.53 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.948 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 95' ' ' LEU . 12.4 p -107.2 141.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.262 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 50' ' ' THR . 0.5 OUTLIER -130.66 141.01 50.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.007 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.49 121.56 38.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.534 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.3 t -90.93 144.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.394 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.97 131.5 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.891 0.288 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 118' ' ' TYR . . . -152.89 109.93 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -108.8 126.62 53.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -128.48 124.88 37.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.425 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -145.65 137.38 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.391 . . . . 0.0 111.387 -179.632 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.407 HD12 ' CG2' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -108.54 119.58 39.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.337 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.514 ' HG3' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -102.66 149.34 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.565 -179.452 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 13.9 t80 -109.26 148.68 30.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.643 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 98' ' ' TYR . 2.7 m-85 -105.3 84.47 1.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 -47.87 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.51 29.48 7.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.18 111.83 3.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.332 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.78 44.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.214 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 -170.66 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.72 19.16 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.546 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -74.04 143.63 45.41 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.11 -56.92 7.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -71.51 142.34 50.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -114.92 95.36 41.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.46 148.6 38.16 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.509 2.139 . . . . 0.0 112.377 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 2.1 p90 -164.02 144.56 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.76 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.14 141.97 10.38 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.6 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -170.79 -164.61 26.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.859 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -142.87 160.58 40.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.834 0.35 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.541 ' N ' HD12 ' A' ' 95' ' ' LEU . . . -159.97 -173.75 28.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.63 139.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -122.6 113.85 19.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 92' ' ' ALA . 6.8 p90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.683 -0.167 . . . . 0.0 112.683 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.54 137.06 35.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 169' ' ' MET . . . -122.87 134.26 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.99 149.18 17.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.548 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -131.47 138.44 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.73 124.09 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 174.95 -154.75 19.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.661 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -153.89 158.68 41.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.01 139.82 34.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 2.3 t80 -129.1 85.62 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 111.25 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.455 ' HB3' ' HB3' ' A' ' 161' ' ' LEU . 1.2 ptt? -88.06 147.87 24.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.886 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.01 -31.56 13.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.518 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 44.1 t30 76.54 -3.1 2.59 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -85.48 -48.03 9.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -129.9 -33.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.453 ' C ' HD12 ' A' ' 161' ' ' LEU . . . -166.39 -172.45 2.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.017 0.437 . . . . 0.0 111.704 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 205' ' ' TYR . 3.5 mp -116.54 156.43 26.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.3 OUTLIER -127.79 150.24 49.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.832 0.349 . . . . 0.0 111.148 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -136.14 146.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.54 ' HG3' HG22 ' A' ' 201' ' ' ILE . 0.0 OUTLIER -152.46 130.77 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.09 177.05 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 198' ' ' VAL . 21.7 t -96.98 141.2 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -120.26 127.85 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.8 103.28 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 13.8 ptt? -115.52 95.93 5.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.846 0.355 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 199' ' ' TYR . 3.0 p90 -138.45 146.23 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.3 tpt -135.34 128.79 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.54 HG22 ' HG3' ' A' ' 164' ' ' MET . 4.2 pt -107.57 126.11 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -134.01 176.37 19.81 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.553 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -134.8 139.11 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.32 -164.07 9.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.564 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.865 ' HA ' HD13 ' A' ' 161' ' ' LEU . 26.4 t80 -152.66 145.73 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 129.15 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 171.3 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.671 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -79.74 143.69 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.15 -8.07 44.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.88 152.49 19.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.697 0.284 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 207' ' ' PHE . 12.2 p90 -125.74 130.04 50.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.508 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.0 mp -136.17 140.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.62 137.27 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -136.26 146.42 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.4 138.08 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.83 0.347 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.05 137.49 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.408 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.88 146.34 49.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 t -155.4 149.85 26.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -115.92 143.01 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.649 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.99 127.87 45.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.645 ' HB2' HG22 ' A' ' 59' ' ' VAL . 5.3 m-85 -111.39 99.33 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.82 129.24 40.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.372 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -110.62 179.24 4.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.973 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.671 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -55.22 149.51 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.054 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 77.61 -62.15 0.38 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.603 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER 164.93 38.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.47 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.446 ' CD1' ' HB3' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -87.66 -174.03 4.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.907 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 172.21 130.22 1.22 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 51' ' ' TYR . 35.7 m -101.74 111.62 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.541 ' C ' HD22 ' A' ' 61' ' ' LEU . 5.5 tt0 -96.23 122.7 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.206 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD22 ' C ' ' A' ' 60' ' ' GLU . 3.3 mm? -111.89 119.97 40.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.468 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.72 136.51 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.28 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.95 118.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.757 0.232 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.63 111.65 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.606 HG22 HD11 ' A' ' 95' ' ' LEU . 2.9 m -126.82 137.59 53.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -132.01 119.52 21.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 93' ' ' THR . 1.5 mp -135.11 150.03 50.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.93 111.17 23.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.69 155.56 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.446 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 5.8 p90 -146.84 150.16 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 88.4 m-85 -93.48 110.08 44.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.41 -52.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.572 2.182 . . . . 0.0 112.303 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.72 29.19 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.9 104.9 2.37 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.51 43.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -140.14 -170.45 2.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.58 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 104' ' ' THR . 39.3 m-20 -83.39 19.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.396 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.69 154.8 40.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.7 -33.61 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -94.94 143.18 26.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.33 89.92 6.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.83 134.19 13.2 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.588 2.192 . . . . 0.0 112.284 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 23.1 p90 -146.17 159.26 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.117 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.57 ' HA2' HD22 ' A' ' 150' ' ' LEU . . . -137.99 136.67 8.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.246 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.11 170.74 24.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.825 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.2 132.92 12.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -158.14 -164.99 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.709 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 146' ' ' LEU . 21.5 t -111.02 146.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 111.162 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.474 ' HA ' HG23 ' A' ' 93' ' ' THR . 0.8 OUTLIER -124.18 121.51 35.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 34.6 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 116' ' ' VAL . 0.4 OUTLIER -56.03 148.8 16.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 111.1 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -142.52 -177.55 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -150.95 151.09 23.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -132.37 129.36 39.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.718 0.294 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.57 HD22 ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -146.83 123.48 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.86 -145.1 5.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.592 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -158.11 177.98 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -133.07 136.24 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.677 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -107.47 84.98 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 0.0 111.253 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.519 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 23.0 mtm -69.95 121.75 17.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.979 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.67 -33.8 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.2 t30 77.26 -1.44 2.76 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.51 -48.11 9.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.99 0.424 . . . . 0.0 110.522 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 -34.43 0.55 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -163.95 -172.99 3.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.049 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.0 pp -117.06 176.3 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -109.91 150.02 29.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.883 0.373 . . . . 0.0 111.088 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -136.56 107.5 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.516 ' HG3' HG22 ' A' ' 201' ' ' ILE . 4.3 tmm? -136.97 131.09 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.84 171.1 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 198' ' ' VAL . 29.5 t -97.07 134.67 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -117.72 112.79 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.54 99.72 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.809 0.338 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.484 ' N ' HG12 ' A' ' 198' ' ' VAL . 10.4 p90 -142.99 149.64 38.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 15.3 ttp -128.34 128.03 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 164' ' ' MET . 1.2 pt -122.79 141.21 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -159.64 -162.49 12.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.02 175.35 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.33 154.64 25.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -155.22 121.19 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.508 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -99.41 138.16 36.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 207' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 2.2 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.833 0.349 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -134.53 -176.08 4.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.21 119.44 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.69 5.09 27.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.809 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.41 126.62 28.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.42 ' O ' HD13 ' A' ' 8' ' ' ILE . 14.0 m-85 -81.87 104.98 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.564 HD12 ' CB ' ' A' ' 206' ' ' LYS . 13.5 mm -121.06 122.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.524 HG22 ' CE1' ' A' ' 49' ' ' PHE . 20.3 pt -95.03 129.44 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.43 162.95 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.78 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 137.94 3.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.828 0.347 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -122.92 135.56 10.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.608 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mt -119.16 141.51 48.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.641 0.258 . . . . 0.0 110.506 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 62' ' ' VAL . 5.3 p -143.2 135.77 27.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 111.451 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -96.77 118.15 32.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.097 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.726 HG23 ' HB2' ' A' ' 60' ' ' GLU . 1.1 m -112.05 134.01 53.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.764 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -109.04 90.55 3.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.955 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.94 123.68 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.834 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.97 134.54 34.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.846 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.0 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ALA . 12.7 m-20 28.33 60.82 0.12 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.216 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -166.92 -34.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.735 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -152.04 -176.68 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.24 0.543 . . . . 0.0 111.966 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.08 119.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 m -102.01 139.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.726 ' HB2' HG23 ' A' ' 50' ' ' THR . 33.2 tt0 -132.41 150.03 52.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.616 HD12 ' CD2' ' A' ' 94' ' ' LEU . 9.0 tt -133.77 125.01 27.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.46 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 48' ' ' THR . 14.1 t -90.89 136.37 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.364 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 131.68 2.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.853 0.272 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.13 154.59 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 116' ' ' VAL . 16.8 m -127.79 127.42 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.616 ' CD2' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.12 131.92 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.34 158.2 43.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.35 145.38 48.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.27 143.63 50.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 86.7 t80 -100.27 150.1 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.95 89.04 45.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.186 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.48 -52.25 2.06 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.529 2.153 . . . . 0.0 112.184 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -25.92 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.8 116.8 3.53 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.73 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.62 44.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.132 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -170.58 3.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 110.615 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -84.56 19.22 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.464 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.25 -175.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.34 30.63 6.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CD2' ' HD3' ' A' ' 110' ' ' PRO . 41.2 p90 -173.94 143.6 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.62 90.2 5.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HD3' ' CD2' ' A' ' 108' ' ' PHE . 40.0 Cg_endo -67.16 131.87 26.31 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.56 2.174 . . . . 0.0 112.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CE1' ' OD1' ' A' ' 153' ' ' ASP . 7.2 p90 -148.25 140.91 24.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.65 132.51 4.45 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.612 ' C ' HD22 ' A' ' 114' ' ' LEU . . . -171.65 -164.82 27.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.557 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.612 HD22 ' C ' ' A' ' 113' ' ' GLY . 3.8 mm? -123.64 177.15 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -151.95 172.07 31.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.407 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 145' ' ' GLY . 21.5 t -141.73 135.83 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.425 ' HA ' HG23 ' A' ' 93' ' ' THR . 1.6 m-20 -108.03 130.85 55.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.919 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.705 ' O ' HG13 ' A' ' 116' ' ' VAL . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.611 -0.196 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.77 126.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.12 168.7 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.403 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -124.94 154.92 18.38 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.596 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -147.03 121.23 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.44 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 0.2 OUTLIER -154.76 126.74 7.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.025 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . 169.5 -144.96 8.96 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.568 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -148.88 163.29 37.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.402 ' OD1' ' CE1' ' A' ' 111' ' ' TYR . 20.7 m-20 -114.45 114.04 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -93.96 85.73 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.535 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.2 ptp -68.0 153.04 44.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.156 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.79 -33.67 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.8 t30 76.35 1.61 3.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.711 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.51 -48.02 9.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -143.11 -35.65 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.798 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.33 -172.88 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.805 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.8 OUTLIER -116.85 174.31 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -116.21 149.21 39.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.939 0.399 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.77 123.06 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.42 124.54 21.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.578 ' HB3' ' CE ' ' A' ' 200' ' ' MET . . . -163.7 177.68 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 150' ' ' LEU . 17.1 m -98.75 133.8 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.828 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.484 ' O ' HG21 ' A' ' 198' ' ' VAL . 0.0 OUTLIER -108.04 109.13 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.403 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 10.7 t80 -77.97 137.52 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.526 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.81 145.8 53.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.919 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 167' ' ' TRP . 16.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.48 138.7 52.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 200' ' ' MET . . . . . 0.578 ' CE ' ' HB3' ' A' ' 165' ' ' ALA . 0.0 OUTLIER -144.75 151.55 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 4.4 pt -134.42 142.18 41.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.213 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.56 -177.62 23.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.98 161.46 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -160.72 175.29 37.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.624 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' A' ' 161' ' ' LEU . 12.3 t80 -158.33 121.06 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.564 ' CB ' HD12 ' A' ' 8' ' ' ILE . 13.1 pttp -101.21 141.01 34.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -177.15 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -71.03 140.61 50.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.22 5.22 67.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.758 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.3 123.55 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.33 114.51 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.2 131.57 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.6 pt -107.23 158.97 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -156.89 161.84 39.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 137.87 2.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.418 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.84 0.353 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.11 141.79 15.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.416 HD22 ' HE1' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -118.29 148.04 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.635 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 m -149.19 136.65 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.252 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' HE1' HD22 ' A' ' 47' ' ' LEU . 4.3 m-85 -103.55 143.86 32.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.548 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.3 p -133.01 120.22 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.223 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.409 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m-85 -110.37 96.23 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.39 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 132.54 52.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.322 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 1.6 m-85 -112.31 170.39 8.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.926 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -59.25 153.49 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.867 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 77.61 -60.89 0.42 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.872 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 164.06 41.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.618 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 43.2 m95 -103.36 177.1 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.026 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . -171.3 153.76 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.642 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.31 111.95 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -97.12 143.08 28.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 111.224 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.671 HD21 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -145.01 110.49 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.44 179.696 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG21 ' HZ3' ' A' ' 167' ' ' TRP . 18.8 t -90.79 127.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.09 -175.01 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.814 0.256 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -147.48 117.3 7.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -90.37 130.46 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.671 HD12 HD21 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -120.19 117.48 28.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.756 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.547 HD11 HG22 ' A' ' 93' ' ' THR . 0.6 OUTLIER -141.91 155.02 45.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.64 139.98 46.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -101.98 146.42 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 58.3 t80 -141.73 125.33 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.77 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.486 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 66.2 m-85 -103.83 94.24 6.14 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.34 -49.97 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.481 2.12 . . . . 0.0 112.542 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 tpt -112.54 -27.08 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.33 151.94 44.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.407 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.52 -17.18 1.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.59 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.79 -170.79 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.739 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -91.2 19.3 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.1 p -69.23 155.3 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.791 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.3 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.79 122.74 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.7 81.62 9.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.023 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.42 22.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.491 2.127 . . . . 0.0 112.213 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -159.31 157.13 29.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.6 148.88 16.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -167.81 -165.03 24.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.621 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.4 tp -143.5 161.71 37.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.66 -165.31 21.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.38 158.9 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -120.84 124.54 45.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.589 -0.204 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.0 174.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.803 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 95' ' ' LEU . . . -144.07 146.3 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -134.81 154.73 21.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.412 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.45 118.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.51 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 8.4 tt -147.18 123.11 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -177.15 -144.96 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.609 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.36 155.47 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -110.69 132.11 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 71.1 t80 -128.48 85.79 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.361 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.567 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.2 ttt -64.07 143.87 57.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -32.87 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 75.29 0.37 3.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.701 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.55 -47.92 9.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.128 0.49 . . . . 0.0 110.35 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -143.12 -34.88 0.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.8 -172.7 4.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 205' ' ' TYR . 1.3 pp -116.79 167.33 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.814 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -119.31 138.44 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 111.167 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -138.85 113.12 8.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.742 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.4 ttm -124.83 146.72 49.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -166.66 179.77 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.26 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.05 127.84 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.429 ' HZ3' HG21 ' A' ' 62' ' ' VAL . 10.0 m0 -109.09 108.64 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.44 109.13 20.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.8 mmt -124.48 118.92 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.855 0.359 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -124.61 115.53 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -100.09 148.39 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.56 115.54 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.39 158.4 23.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.582 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.18 154.66 49.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -167.72 -156.93 10.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.647 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.678 ' HA ' HD23 ' A' ' 161' ' ' LEU . 1.6 t80 -142.57 160.71 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 110.824 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -117.24 139.12 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.25 -175.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.19 143.05 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.6 5.23 69.33 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.759 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.01 125.53 21.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.897 0.38 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -99.47 107.87 20.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HA ' ' A' ' 206' ' ' LYS . 11.0 mt -117.67 141.87 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -94.86 123.83 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -121.47 152.71 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.66 -162.02 13.85 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' CA ' ' HA2' ' A' ' 202' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.648 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.84 157.35 24.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 158.47 23.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 0.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.828 HG23 ' C ' ' A' ' 61' ' ' LEU . 39.6 m -155.8 131.82 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.186 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 61' ' ' LEU . 8.6 m-85 -90.43 156.42 18.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.418 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 141.86 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 111.586 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -133.85 87.56 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.43 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 2.1 ttp -71.91 129.18 37.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.82 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -88.95 140.87 28.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.888 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.0 92.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 31.49 60.73 0.28 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.03 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HG2' ' CZ3' ' A' ' 57' ' ' TRP . 18.7 tttp -163.76 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.845 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.696 ' CD1' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -151.46 -170.75 3.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.865 -179.277 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -170.67 175.3 44.51 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.065 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.9 149.84 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -144.17 135.96 26.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.828 ' C ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -151.55 107.01 3.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.84 139.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.99 140.53 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.919 0.3 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.12 146.44 42.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.423 ' HA ' ' CE1' ' A' ' 118' ' ' TYR . 1.4 t -156.3 147.97 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 61' ' ' LEU . 1.2 mt -116.29 150.13 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.66 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -151.73 135.57 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.171 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD21 ' CD1' ' A' ' 57' ' ' TRP . 5.4 tt -84.07 150.55 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.561 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -106.99 129.06 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.946 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.66 124.08 49.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -116.74 79.36 9.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.33 -45.81 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.631 2.221 . . . . 0.0 112.256 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 mtt -112.0 -27.02 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.14 133.65 52.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.2 3.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.758 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 p -84.78 -170.65 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.66 19.18 3.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.51 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -173.91 0.22 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.781 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.42 -65.04 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -71.58 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -110.73 89.02 8.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.97 151.81 14.29 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.683 2.255 . . . . 0.0 112.261 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 14.7 p90 -171.04 153.72 3.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.069 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.35 165.1 22.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.292 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 149' ' ' GLU . . . -136.73 153.48 21.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.813 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.81 128.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 110.739 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -171.69 -164.74 27.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.606 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.37 154.05 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.71 126.18 47.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 93' ' ' THR . 7.4 p90 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.19 142.85 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.89 130.02 43.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -133.33 145.84 17.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.318 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 113' ' ' GLY . 9.3 pt-20 -129.29 152.18 49.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 mt -146.7 119.86 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -173.96 -144.94 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.588 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -164.25 140.17 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.87 117.9 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.4 85.95 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.976 0.417 . . . . 0.0 111.198 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.565 ' HB3' HD12 ' A' ' 161' ' ' LEU . 4.2 ptm -79.1 140.89 37.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.024 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 156' ' ' LEU . 6.0 mp -89.01 -27.17 21.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.699 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 75.06 3.28 4.11 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.55 -45.0 12.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.667 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.05 -32.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.655 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -158.91 -172.45 3.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.019 0.438 . . . . 0.0 111.747 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.34 153.98 31.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.01 129.24 55.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.887 0.375 . . . . 0.0 111.074 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.03 119.88 39.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -135.66 127.22 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 169.13 10.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 198' ' ' VAL . 34.1 t -96.92 115.87 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.978 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -95.24 129.85 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -138.36 101.42 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 6.7 ptp -124.18 122.19 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.998 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 166' ' ' VAL . 13.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.705 0.288 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -130.39 131.08 45.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 17.4 tpp -118.28 148.87 42.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.73 117.73 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 202' ' ' GLY . . . . . 0.4 ' HA2' ' CA ' ' A' ' 12' ' ' GLY . . . -135.02 159.97 24.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -122.14 138.23 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.65 -176.56 24.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.573 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -159.05 132.99 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.726 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -94.07 137.47 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.805 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -160.18 -177.9 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.623 ' N ' ' HB2' ' A' ' 54' ' ' ALA . . . -77.06 133.48 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 93.78 5.2 63.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.723 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 126.36 28.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.857 0.361 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.79 114.38 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 52' ' ' MET . 4.0 mp -117.08 139.53 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mt -95.76 130.75 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.59 141.07 51.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.73 -173.97 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' HA2' ' HA2' ' A' ' 202' ' ' GLY . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.08 144.29 12.4 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.544 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -118.28 148.65 42.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.696 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.3 m -152.65 133.33 13.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -93.44 165.99 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.89 142.23 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.122 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.438 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 6.3 t80 -128.24 85.67 2.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.466 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.96 135.82 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -113.3 134.63 54.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.623 ' HB2' ' N ' ' A' ' 4' ' ' ALA . . . -67.93 89.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.607 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ALA . 1.2 m-20 159.43 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.464 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.7 35.37 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.79 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.476 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -119.89 157.79 28.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.081 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . -161.63 126.14 1.53 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.553 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.0 111.97 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.47 146.11 29.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.83 110.59 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.0 147.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.65 124.96 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 C--O 1.23 0.094 0 CA-C-O 120.899 0.291 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.32 166.07 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.525 HG23 ' OD1' ' A' ' 117' ' ' ASN . 1.3 m -145.3 113.37 6.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.77 124.07 51.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 0.4 OUTLIER -139.18 138.57 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.15 118.31 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -101.81 144.02 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -135.55 140.23 44.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.5 p90 -137.11 88.41 17.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.54 -27.79 15.16 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.509 2.14 . . . . 0.0 112.273 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.1 mtm -108.13 30.69 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.46 146.31 16.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.68 -1.79 5.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.733 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.667 HG23 ' H ' ' A' ' 106' ' ' SER . 10.0 t -84.86 -170.5 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.311 . . . . 0.0 110.668 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.73 19.19 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.667 ' H ' HG23 ' A' ' 104' ' ' THR . 30.6 t -68.67 136.6 53.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.73 70.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 19.1 p90 -93.49 146.92 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.51 88.22 18.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.0 140.87 97.31 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.583 2.189 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -154.14 137.89 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.08 141.46 8.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.673 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.35 -168.34 38.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -147.14 -178.99 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.66 -164.96 32.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m -125.52 149.49 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.525 ' OD1' HG23 ' A' ' 93' ' ' THR . 3.7 m-20 -117.98 129.33 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.29 127.27 40.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.92 172.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -130.88 160.36 23.24 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.649 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -156.04 125.09 6.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.336 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.552 ' O ' HG22 ' A' ' 166' ' ' VAL . 0.3 OUTLIER -157.56 116.58 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -168.93 -144.97 4.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.625 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -148.53 146.84 28.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -100.5 116.85 33.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -106.25 85.66 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.532 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -71.26 144.61 49.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.004 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 1.3 mt -90.61 -28.0 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.768 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 7.9 m120 68.94 2.04 3.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.97 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.75 -48.25 8.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.175 0.512 . . . . 0.0 110.3 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -143.29 -35.7 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.907 ' HB2' ' CE2' ' A' ' 205' ' ' TYR . . . -150.03 -172.86 4.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.532 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.3 pp -116.89 173.01 6.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.88 146.11 49.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.79 121.07 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.527 ' HG2' HG22 ' A' ' 201' ' ' ILE . 23.5 mtp -132.16 116.09 16.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -154.48 172.61 17.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.436 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 150' ' ' LEU . 30.7 m -97.01 148.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -116.79 114.17 23.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.404 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 3.8 t80 -78.08 142.78 37.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -68.81 160.2 30.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.001 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 166' ' ' VAL . 19.9 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.809 0.338 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -146.48 117.17 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.37 137.02 48.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.527 HG22 ' HG2' ' A' ' 164' ' ' MET . 1.5 pt -138.99 114.47 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 202' ' ' GLY . . . . . 0.407 ' HA2' ' HA2' ' A' ' 12' ' ' GLY . . . -132.4 -171.63 12.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.722 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -137.07 143.59 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.474 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -147.35 -168.72 14.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.578 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.907 ' CE2' ' HB2' ' A' ' 160' ' ' ALA . 61.6 m-85 -142.67 161.06 39.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.53 138.12 50.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -114.1 -178.36 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -75.4 129.9 38.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.08 5.11 64.26 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.33 137.93 58.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.38 104.95 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.706 HG23 ' OG1' ' A' ' 50' ' ' THR . 3.1 tt -127.38 145.36 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.638 HD11 ' HB3' ' A' ' 205' ' ' TYR . 2.7 pt -114.45 154.04 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -138.01 159.95 40.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.28 -172.04 12.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.529 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.89 155.43 48.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 mt -129.86 132.1 46.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.757 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.915 HG22 ' HA ' ' A' ' 62' ' ' VAL . 50.0 p -141.48 130.46 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.072 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -93.21 153.86 18.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 179.702 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.706 ' OG1' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -144.5 140.19 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -130.25 94.37 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.82 136.12 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.358 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.22 170.46 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.757 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -61.54 154.67 24.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.667 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER 79.55 -60.5 0.33 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.834 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 161.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -111.18 175.27 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 97' ' ' GLN . . . -178.11 145.36 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.98 112.01 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.74 150.02 23.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tp -146.72 123.76 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.68 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' A' ' 48' ' ' THR . 12.9 t -90.96 137.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 179.59 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 C--O 1.23 0.12 0 CA-C-O 120.86 0.275 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.79 140.97 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.518 HG23 ' CG ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -102.39 132.64 48.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.6 tp -111.72 144.36 41.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -159.91 135.64 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.166 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 96' ' ' LEU . 14.0 mt -94.8 120.74 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.0 OUTLIER -101.92 119.76 39.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.43 ' CZ ' ' HA3' ' A' ' 112' ' ' GLY . 16.5 p90 -121.8 150.22 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -112.97 91.82 19.24 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.5 -52.07 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.096 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -27.02 8.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -55.07 117.3 8.02 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.662 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.41 45.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.211 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -153.95 -170.89 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.674 0.273 . . . . 0.0 110.678 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -77.48 5.37 9.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.66 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 p -58.09 139.23 55.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.75 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -96.53 136.27 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -108.67 92.73 10.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.03 133.86 30.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.464 2.109 . . . . 0.0 112.229 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -139.35 159.28 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 98' ' ' TYR . . . -116.31 146.11 18.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.314 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.463 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -131.34 147.43 18.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.711 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -165.65 129.49 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.728 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -172.58 -164.67 28.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.67 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 118' ' ' TYR . 11.1 p -125.16 146.54 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.518 ' CG ' HG23 ' A' ' 93' ' ' THR . 46.7 t30 -116.29 114.05 23.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 116' ' ' VAL . 15.0 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -58.85 155.79 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.735 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.554 ' HB3' HD11 ' A' ' 95' ' ' LEU . . . -126.62 159.02 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.239 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.02 144.94 10.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.432 ' CD ' HD22 ' A' ' 95' ' ' LEU . 71.8 mt-10 -132.91 147.14 52.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 166' ' ' VAL . 0.8 OUTLIER -153.84 118.72 5.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.69 -145.19 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.576 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -146.61 176.12 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.15 114.13 22.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -97.22 85.83 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.511 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 19.6 ptt? -75.12 146.97 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.273 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 7.2 mt -98.26 -23.75 15.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 1.6 m120 68.88 7.8 6.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.846 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -85.65 -48.37 8.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.28 -36.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.688 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -152.23 -172.61 4.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.75 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -116.71 170.33 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.848 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.36 148.88 41.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.089 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.52 118.31 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 24.5 mtt -126.06 128.61 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.05 169.81 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 150' ' ' LEU . 6.4 m -96.99 126.25 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -105.36 146.44 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -163.57 134.57 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.793 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.2 ptp -158.5 103.5 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.765 0.317 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.95 118.71 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.7 pt -110.72 147.23 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.11 -169.74 16.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 203' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 203' ' ' PHE . 6.8 m-85 -121.83 178.81 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.356 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 204' ' ' GLY . . . . . 0.4 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -164.76 159.62 32.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.638 ' HB3' HD11 ' A' ' 9' ' ' ILE . 50.5 t80 -158.93 138.97 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' A' ' 8' ' ' ILE . 6.2 mttm -96.76 139.44 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.4 p80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.86 0.362 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.77 -170.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.516 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -78.55 156.58 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.62 2.4 84.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.825 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 149.71 26.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.837 0.351 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -127.53 115.68 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.819 HG22 ' HA ' ' A' ' 206' ' ' LYS . 1.1 pt -137.4 137.22 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.052 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 10' ' ' ARG . 22.9 mm -94.87 159.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -145.2 110.08 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.57 138.5 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.856 0.36 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.42 135.15 12.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tp -126.32 129.05 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 61' ' ' LEU . 28.7 m -146.83 134.14 20.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.259 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -88.42 158.14 18.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -138.01 137.63 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.069 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.89 156.59 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.656 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.419 ' HG3' ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -133.49 117.98 17.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 4.9 t80 -109.37 168.32 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.723 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.65 158.21 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.702 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 17.1 t70 80.4 -61.57 0.26 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 160.35 43.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.675 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.405 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -104.12 157.57 17.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.13 144.99 10.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -110.12 137.9 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.686 0.279 . . . . 0.0 110.967 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.28 135.73 45.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -132.67 115.59 15.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.03 132.53 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.192 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.05 -175.01 3.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.754 0.231 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.05 102.92 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.9 m -101.93 121.64 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -118.27 128.23 54.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 pp -147.39 162.29 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.415 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.79 118.9 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.45 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.43 153.28 20.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.78 139.98 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.64 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 67.2 m-85 -107.56 80.98 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.31 -42.25 5.8 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.633 2.222 . . . . 0.0 112.186 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -125.22 29.2 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.58 101.55 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.88 44.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.21 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -152.86 -170.56 3.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 110.664 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 104' ' ' THR . 26.8 p30 -75.39 2.47 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.698 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.9 p -57.26 -176.51 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.45 -42.92 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.21 139.35 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -118.17 79.99 15.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 131.83 17.23 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.574 2.183 . . . . 0.0 112.439 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -137.58 165.9 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.743 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.96 144.67 10.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.31 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 pp -144.07 179.9 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.39 -164.91 28.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.5 m -128.9 145.24 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -108.14 141.95 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.52 107.69 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.8 171.01 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.427 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -125.12 153.82 18.11 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.93 116.99 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.756 0.312 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.546 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 2.5 pp -157.95 140.07 14.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.974 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -177.06 -147.61 6.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.721 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -146.36 155.02 42.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -118.38 134.19 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 162' ' ' PHE . 91.2 t80 -118.83 85.46 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.642 ' HB3' HD23 ' A' ' 161' ' ' LEU . 3.9 ptt? -69.46 149.94 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 5.5 mp -110.04 -33.07 6.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 60.9 m-20 72.43 0.41 3.59 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.838 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.47 -47.96 9.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -137.26 -36.57 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.795 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.58 -172.94 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.642 HD23 ' HB3' ' A' ' 155' ' ' MET . 1.5 mp -117.0 170.48 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.487 ' HE1' HD12 ' A' ' 201' ' ' ILE . 55.6 t80 -111.55 148.81 32.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -148.04 132.26 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.654 ' HG3' HG22 ' A' ' 201' ' ' ILE . 12.2 ttt -156.65 150.65 24.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.76 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.546 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -168.9 173.96 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 111.389 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.2 t -96.98 142.36 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.17 107.03 17.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.427 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 39.5 t80 -78.72 148.64 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.7 ptp -68.62 156.57 37.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.97 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 199' ' ' TYR . 11.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 199' ' ' TYR . . . . . 0.488 ' N ' HG12 ' A' ' 198' ' ' VAL . 4.7 t80 -106.29 136.09 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.15 166.8 12.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.654 HG22 ' HG3' ' A' ' 164' ' ' MET . 40.3 pt -98.89 146.41 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.34 -167.38 11.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.98 178.96 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.758 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.24 167.69 21.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.516 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -154.61 135.07 13.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.819 ' HA ' HG22 ' A' ' 8' ' ' ILE . 5.9 pttt -100.01 128.06 46.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.76 166.7 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.94 130.56 36.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.65 5.23 64.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.636 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 124.37 17.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' HD13 ' A' ' 8' ' ' ILE . 59.9 m-85 -81.88 117.52 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 7' ' ' PHE . 26.4 mm -128.74 137.69 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.043 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -122.69 118.44 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -126.26 135.34 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.26 137.97 2.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.615 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.462 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.38 136.44 13.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mp -126.86 137.23 53.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.775 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 62' ' ' VAL . 40.3 p -141.09 150.97 43.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.091 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.611 ' HD1' HG22 ' A' ' 9' ' ' ILE . 27.9 m-85 -113.51 111.34 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.71 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' A' ' 8' ' ' ILE . 63.1 m -96.88 142.9 28.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.171 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.12 95.07 4.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.96 130.67 47.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.377 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 2.7 m-85 -109.83 129.07 55.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.855 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -66.87 86.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.537 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 162.81 -55.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.248 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER 160.42 36.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.87 179.336 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -123.11 163.74 19.98 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.424 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.57 122.59 1.11 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.399 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.8 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -117.58 138.17 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.245 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 94' ' ' LEU . 11.3 mt -123.41 144.61 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.87 ' HA ' HG22 ' A' ' 48' ' ' THR . 23.7 t -102.64 132.36 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.11 137.26 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo . . . . . 0 C--O 1.232 0.214 0 CA-C-O 120.808 0.253 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.2 143.31 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 61' ' ' LEU . 1.3 m -115.66 144.51 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD12 HD21 ' A' ' 61' ' ' LEU . 3.1 tp -132.06 129.12 39.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.73 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.629 HD21 ' CB ' ' A' ' 147' ' ' ALA . 4.2 mp -139.22 162.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 mt -124.96 122.33 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' CE2' ' HG3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -114.45 135.98 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.67 79.76 0.67 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.51 -44.35 2.3 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.544 2.163 . . . . 0.0 112.278 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -106.64 30.19 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.59 130.3 10.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.29 -17.74 2.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -84.82 -170.76 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.811 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.438 ' H ' HG22 ' A' ' 104' ' ' THR . 4.5 p-10 -89.67 19.06 4.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.84 131.73 47.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.769 0.318 . . . . 0.0 110.777 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.82 82.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -81.38 137.82 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.71 85.26 3.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.57 151.13 58.34 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.622 2.215 . . . . 0.0 112.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.25 138.03 13.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.68 146.87 18.86 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.71 -164.99 32.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.51 -178.96 5.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.15 -165.0 30.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.0 164.41 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.423 ' HA ' HG23 ' A' ' 93' ' ' THR . 5.2 t-20 -138.93 124.16 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.8 p90 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.86 132.58 43.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.629 ' CB ' HD21 ' A' ' 95' ' ' LEU . . . -105.56 153.42 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.86 160.95 21.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.36 120.37 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.63 112.88 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 176.69 -144.86 7.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.624 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -158.61 160.87 37.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.35 115.78 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 162' ' ' PHE . 13.1 t80 -90.48 85.24 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.84 ' HB3' HD22 ' A' ' 161' ' ' LEU . 3.2 mtm -70.99 151.16 44.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.628 HD23 ' HB2' ' A' ' 158' ' ' GLU . 2.4 tp -110.22 -40.01 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.725 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t30 78.14 -4.49 2.2 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.734 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.628 ' HB2' HD23 ' A' ' 156' ' ' LEU . 1.3 mm-40 -85.33 -44.14 13.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.059 0.457 . . . . 0.0 110.562 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -36.0 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -164.21 -173.01 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.84 HD22 ' HB3' ' A' ' 155' ' ' MET . 0.9 OUTLIER -117.0 168.95 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.404 ' CB ' ' O ' ' A' ' 154' ' ' TYR . 3.6 t80 -115.88 136.97 52.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.749 0.309 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.01 130.51 53.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 201' ' ' ILE . 0.5 OUTLIER -151.48 115.95 5.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.722 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -162.46 167.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.351 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 29.7 t -97.11 118.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -104.51 124.88 50.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.51 97.56 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 3.7 ptm -128.46 106.52 9.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.876 0.37 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -127.02 148.22 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 9.5 tpp -125.95 141.53 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.632 HG22 ' HG2' ' A' ' 164' ' ' MET . 2.6 pp -137.7 139.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.32 -170.04 22.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.672 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 203' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 15.5 m-85 -127.62 142.32 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.95 -170.67 12.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.636 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -156.13 160.85 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.01 129.72 53.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.868 0.366 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.63 148.88 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.718 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . . . -60.45 127.1 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.83 5.33 53.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.636 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.22 146.47 53.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 0.0 111.021 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . 10.2 p90 -126.97 105.02 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.453 HG22 ' CB ' ' A' ' 206' ' ' LYS . 1.6 pp -112.96 140.35 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.41 HD12 ' CD2' ' A' ' 49' ' ' PHE . 24.2 mm -95.0 129.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.64 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.89 137.92 2.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.423 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.87 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.747 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -158.56 131.32 2.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.584 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 46' ' ' GLY . 12.4 mt -124.98 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -153.97 134.58 13.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CD2' HD12 ' A' ' 9' ' ' ILE . 5.8 m-85 -91.19 108.49 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.583 HG23 ' HB3' ' A' ' 60' ' ' GLU . 1.1 m -93.14 149.13 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' CB ' ' A' ' 7' ' ' PHE . 89.7 m-85 -141.83 120.22 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.591 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -100.52 131.38 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.28 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB2' ' CB ' ' A' ' 57' ' ' TRP . 97.4 m-85 -115.07 168.45 9.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.852 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.718 ' HB2' ' CB ' ' A' ' 4' ' ' ALA . . . -59.26 158.5 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.955 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 81.28 -62.37 0.19 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.8 45.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.391 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -103.86 137.76 41.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.992 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.36 119.87 1.42 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.471 HG22 ' HG ' ' A' ' 96' ' ' LEU . 21.4 t -123.42 120.07 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.717 0.294 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' A' ' 50' ' ' THR . 0.3 OUTLIER -136.9 149.67 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.79 119.62 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.415 HG21 ' CH2' ' A' ' 167' ' ' TRP . 20.4 t -90.9 148.02 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.515 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.2 116.99 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.047 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.829 0.262 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.63 133.86 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -137.29 113.91 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 95' ' ' LEU . 9.8 tt -100.07 146.95 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 94' ' ' LEU . 2.8 mp -147.79 154.84 41.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' HG ' HG22 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -132.19 126.01 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 13.2 mt-30 -117.24 157.75 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 94.3 m-85 -126.48 128.59 47.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CZ ' ' CE2' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -59.71 109.36 1.9 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.932 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.1 -45.84 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.417 2.078 . . . . 0.0 112.402 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 mtm -125.71 2.32 7.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.334 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . 0.404 ' HA3' ' CD1' ' A' ' 99' ' ' TYR . . . -61.1 124.09 34.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.444 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 -28.08 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -84.98 -170.93 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.817 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.445 ' H ' HG22 ' A' ' 104' ' ' THR . 8.8 p30 -92.77 19.1 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.297 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 p -67.38 141.17 57.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.742 0.306 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.24 -27.35 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -89.59 126.43 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.88 93.94 8.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.62 155.0 59.66 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.569 2.179 . . . . 0.0 112.478 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -159.7 138.02 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.11 14.98 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.692 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.02 -165.0 38.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.71 178.7 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.72 ' C ' ' HB3' ' A' ' 147' ' ' ALA . . . -160.81 -164.98 16.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m -141.66 143.05 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -116.84 124.9 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.98 132.47 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HB3' ' C ' ' A' ' 115' ' ' GLY . . . -105.13 156.75 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -143.76 138.39 8.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.52 120.56 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.06 124.65 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.53 -144.85 8.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -158.68 162.62 37.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.451 ' OD1' ' ND2' ' A' ' 163' ' ' ASN . 4.0 m-20 -115.69 116.62 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.25 85.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 14.2 ptt? -66.43 153.0 43.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 158' ' ' GLU . 8.7 tp -103.73 -34.71 8.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.7 t30 76.94 0.37 3.08 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.694 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLU . . . . . 0.559 ' HB3' HD23 ' A' ' 156' ' ' LEU . 22.0 tp10 -85.53 -47.99 9.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.125 0.488 . . . . 0.0 110.405 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -142.89 -35.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.828 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.92 -173.98 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.517 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.9 173.47 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.13 138.93 54.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.866 0.365 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -119.38 132.92 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.3 mtt -148.9 123.63 9.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.85 179.54 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 198' ' ' VAL . 31.1 t -97.1 123.6 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.415 ' CH2' HG21 ' A' ' 62' ' ' VAL . 62.4 t-105 -96.49 146.93 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.992 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -147.54 126.7 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.7 ptm -148.86 111.13 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.797 0.332 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.11 127.9 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.0 ttt -121.9 141.89 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.04 133.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.54 -161.05 10.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.592 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.96 165.73 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.14 167.64 25.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.535 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.401 ' N ' HD21 ' A' ' 161' ' ' LEU . 44.4 t80 -154.64 140.05 17.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.5 ' CD ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -129.78 141.01 50.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -172.84 159.07 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.3 138.0 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.58 5.27 88.54 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.72 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 123.17 8.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.087 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -100.18 112.92 25.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 205' ' ' TYR . 6.5 mt -119.67 140.97 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 205' ' ' TYR . 1.6 pt -94.72 117.64 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.352 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -108.01 159.4 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.762 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.97 138.15 3.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.579 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.77 17.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.566 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.1 159.57 20.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 61' ' ' LEU . 5.6 m -158.03 139.8 13.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.543 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -90.17 163.61 14.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.154 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 m -146.29 135.76 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 111.814 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.69 85.8 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.025 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 8' ' ' ILE . 6.5 ptt? -86.88 140.49 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 112.045 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -105.31 139.37 40.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.251 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.97 101.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 99' ' ' TYR . 25.2 t0 38.06 38.55 0.2 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.624 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -122.66 -58.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.227 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.743 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 4.4 p-90 -168.13 -166.48 0.72 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.759 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -166.23 142.32 7.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.561 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.743 HG22 ' CZ3' ' A' ' 57' ' ' TRP . 21.6 t -102.97 152.15 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' C ' HD12 ' A' ' 61' ' ' LEU . 14.3 pt-20 -144.01 133.56 23.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 48' ' ' THR . 7.0 mp -131.96 119.15 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.8 t -90.88 141.5 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.279 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.42 121.65 2.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.802 0.251 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.92 137.78 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.685 HG22 ' CD1' ' A' ' 95' ' ' LEU . 2.9 m -117.09 132.07 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.643 HD12 ' CD2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -130.6 119.6 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.685 ' CD1' HG22 ' A' ' 93' ' ' THR . 6.1 mp -133.65 147.48 51.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -123.03 117.65 25.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.696 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 9.0 pm0 -102.03 153.12 20.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.433 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 8.2 p90 -129.89 145.46 51.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 1.7 p90 -142.17 84.28 11.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.43 -32.92 3.54 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.608 2.206 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.58 -27.01 34.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.27 161.13 50.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.45 -7.6 4.98 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.729 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 106' ' ' SER . 9.6 t -84.85 -170.6 3.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.47 19.16 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.433 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.707 ' H ' HG23 ' A' ' 104' ' ' THR . 1.4 t -61.84 139.64 58.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.38 97.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.223 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -92.56 148.07 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -114.24 91.37 23.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.733 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.27 149.14 56.8 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.533 2.155 . . . . 0.0 112.392 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 20.2 m-85 -156.25 137.88 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.3 136.73 5.55 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -177.55 -164.58 31.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.738 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.09 -178.92 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -170.73 -164.89 27.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.648 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.93 139.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ASN . . . . . 0.596 ' OD1' HG23 ' A' ' 93' ' ' THR . 1.3 m-20 -115.31 118.44 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.581 -0.208 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.48 163.45 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -132.3 -176.27 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.84 150.04 21.47 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.59 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLU . . . . . 0.56 ' HB2' HD22 ' A' ' 95' ' ' LEU . 3.9 tm-20 -149.92 117.01 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.46 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 1.2 mt -147.04 130.46 16.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -179.39 -147.13 7.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.734 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -153.25 135.07 14.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 163' ' ' ASN . 21.7 m-20 -93.55 123.8 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -107.74 85.5 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.587 ' HB3' HD23 ' A' ' 161' ' ' LEU . 3.0 ptt? -74.6 141.41 44.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.812 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 tp -95.35 -35.61 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 76.42 -1.14 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.553 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -46.42 10.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.11 -35.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.52 -174.32 4.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 161' ' ' LEU . 1.0 OUTLIER -119.07 169.02 10.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 15.2 m-85 -122.82 142.47 50.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 153' ' ' ASP . 10.0 p30 -139.91 112.35 7.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.614 ' HG2' HG22 ' A' ' 201' ' ' ILE . 2.5 mtt -130.08 138.2 50.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.46 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -157.48 178.4 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 198' ' ' VAL . 14.3 p -96.98 123.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -93.96 140.53 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.89 122.61 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 24.9 ttt -123.85 100.73 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 166' ' ' VAL . 21.4 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -127.88 131.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -132.28 158.25 42.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.614 HG22 ' HG2' ' A' ' 164' ' ' MET . 2.5 pp -135.69 133.78 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -144.18 -175.67 17.52 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -121.89 163.68 18.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.57 166.46 29.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.634 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 205' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 8' ' ' ILE . 6.5 t80 -156.11 121.3 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.496 ' HD3' HD21 ' A' ' 161' ' ' LEU . 6.0 pttp -87.46 140.92 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.002 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.9 m170 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -132.8 -176.61 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.495 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . . . -63.7 149.66 46.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 0.36 75.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.811 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.46 129.06 37.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -119.22 125.12 48.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.769 HG22 ' HA ' ' A' ' 206' ' ' LYS . 21.8 pt -130.1 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -100.08 118.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 177.34 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.51 -166.12 15.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.586 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.61 130.95 10.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.08 142.75 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.637 HG23 HG22 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -130.11 175.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.98 113.7 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.76 140.56 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.46 100.71 5.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.7 mtp -75.01 124.94 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -115.4 172.3 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' CA ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.12 154.46 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.742 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.47 -60.27 0.4 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.002 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.09 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.535 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -100.27 142.21 32.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.043 -179.828 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.75 120.45 1.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.87 113.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -102.0 145.03 29.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -146.63 108.85 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 48' ' ' THR . 21.6 t -90.84 138.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.276 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.02 138.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.759 0.233 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.43 33.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.411 HG22 HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.54 111.8 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.013 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -105.02 117.47 34.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.636 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.2 mt -126.17 152.96 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.5 mt -126.07 117.2 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.565 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -113.05 170.58 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -141.77 145.61 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.731 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 5.5 p90 -128.34 87.42 55.29 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.28 -45.26 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.59 2.193 . . . . 0.0 112.241 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.5 mmm -77.5 -27.07 51.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.56 144.84 36.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.54 43.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.206 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.86 -170.75 3.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -85.44 19.08 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.462 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -74.64 163.41 27.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 -27.67 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -81.48 118.01 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -108.07 82.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.68 155.2 54.43 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -168.92 149.41 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.41 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -153.17 155.21 26.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.594 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 160.11 -166.22 35.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.575 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -140.94 -179.01 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.779 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.49 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -158.52 -167.15 18.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.697 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.0 m -140.5 148.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -106.93 115.52 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.656 -0.178 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 146' ' ' LEU . . . . . 0.822 ' O ' HD12 ' A' ' 146' ' ' LEU . 1.8 pp -130.81 137.21 49.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.578 ' HB1' ' HE1' ' A' ' 167' ' ' TRP . . . -113.51 153.24 29.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' ' 168' ' ' TYR . . . -116.56 159.37 13.96 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.647 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -156.01 118.35 4.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.457 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 7.2 mt -155.06 125.23 6.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.05 -144.97 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.563 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -149.14 161.61 41.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.913 0.387 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -112.11 144.74 40.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.836 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' TYR . . . . . 0.449 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.6 OUTLIER -120.01 85.2 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.431 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 155' ' ' MET . . . . . 0.632 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.7 ptt? -79.75 146.11 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.05 -28.68 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.9 t30 75.86 3.96 3.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.669 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -48.05 9.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.135 0.493 . . . . 0.0 110.484 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -138.49 -36.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.7 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -165.88 -172.94 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -117.2 173.18 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -119.34 149.98 40.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.32 121.1 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.637 ' HG2' HG22 ' A' ' 201' ' ' ILE . 3.1 mtt -132.54 118.79 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.714 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -156.59 -178.36 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.72 142.07 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' TRP . . . . . 0.578 ' HE1' ' HB1' ' A' ' 147' ' ' ALA . 3.7 t90 -115.96 111.75 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 168' ' ' TYR . . . . . 0.427 ' CD1' ' HA3' ' A' ' 148' ' ' GLY . 23.4 m-85 -77.89 137.89 38.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 161.31 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 198' ' ' VAL . . . . . 0.455 ' O ' HG23 ' A' ' 198' ' ' VAL . 9.4 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.835 0.35 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -145.78 138.77 25.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.88 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.637 HG22 ' HG2' ' A' ' 164' ' ' MET . 1.6 pt -142.85 113.5 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -129.33 -161.41 10.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.6 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -121.81 167.46 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -152.45 145.31 12.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.532 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -134.35 131.18 38.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 206' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -97.4 133.83 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -142.12 -48.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.39 -171.29 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.535 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -78.79 141.34 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.06 1.98 58.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.782 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.2 136.25 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -99.86 123.2 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.523 HD11 ' CG2' ' A' ' 50' ' ' THR . 1.7 pt -142.46 130.24 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.494 HD13 ' HB2' ' A' ' 205' ' ' TYR . 3.5 mp -97.67 141.59 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.18 104.7 9.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.12 171.51 25.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.41 154.05 21.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.413 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' HD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -144.48 145.31 31.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.786 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' H ' HD23 ' A' ' 45' ' ' LEU . . . 60.32 95.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.003 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 p -68.69 148.0 51.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.95 94.26 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -149.47 148.87 27.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.09 153.94 62.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.56 2.173 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.2 76.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.2 -60.37 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -101.18 31.49 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 100.59 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.4 p -127.9 -45.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -111.17 137.76 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 25' ' ' ILE . 2.0 mt -124.17 34.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -78.04 146.32 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.31 30.34 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -113.19 79.81 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.83 -42.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.28 171.08 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -83.68 -57.33 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -166.47 -59.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' O ' HG21 ' A' ' 38' ' ' THR . 6.7 tpt180 63.63 134.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.67 125.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 t -102.73 -31.73 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -146.62 113.04 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 60.5 99.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -127.52 39.24 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.48 -56.78 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -112.05 98.43 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 t -76.81 129.42 36.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -81.08 77.47 7.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.86 -38.65 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -59.26 160.81 6.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.9 mp -108.93 171.5 7.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . 177.13 161.97 26.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 13' ' ' PHE . 1.6 tp -153.67 142.9 21.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.805 HG22 ' HA ' ' A' ' 62' ' ' VAL . 30.6 p -137.01 152.34 50.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.6 109.46 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.523 ' CG2' HD11 ' A' ' 8' ' ' ILE . 27.7 m -103.67 144.47 31.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.09 97.91 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 129.64 42.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.08 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.7 t80 -117.55 168.38 10.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.535 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -54.81 157.74 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.059 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER 78.66 -63.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.603 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.71 41.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.449 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 23.7 m0 -106.98 168.88 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.149 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.1 130.5 1.94 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 96' ' ' LEU . 28.9 t -101.94 112.02 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -112.28 139.14 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 94' ' ' LEU . 6.5 tt -120.17 129.22 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.604 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.805 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.7 t -90.78 129.83 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.08 129.42 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.508 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . -145.74 158.75 43.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.52 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -142.02 139.81 18.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD2' HG22 ' A' ' 65' ' ' THR . 58.8 Cg_endo -72.12 -45.45 0.66 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.455 2.103 . . . . 0.0 112.358 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 15.4 p90 -138.15 164.82 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -153.05 138.23 17.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 60.67 40.52 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.27 -45.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.46 98.63 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -91.84 136.17 33.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -65.67 145.26 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.06 34.94 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.83 -140.47 15.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.536 HD21 ' OD1' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -175.03 -42.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.966 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.59 -115.41 0.05 OUTLIER Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.24 -172.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.467 2.111 . . . . 0.0 112.245 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.47 -163.66 42.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.43 165.1 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -113.42 118.1 33.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.87 -56.5 2.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.397 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -67.26 104.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -133.95 -46.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.71 144.29 41.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.36 164.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.44 158.39 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 138.24 33.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -126.46 117.5 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.06 80.26 72.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.74 159.0 52.0 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.621 2.214 . . . . 0.0 112.372 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.09 134.82 47.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -130.35 128.49 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 61' ' ' LEU . 8.1 mt -118.69 125.27 49.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.37 137.69 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' CD2' HG22 ' A' ' 59' ' ' VAL . 46.3 mt -91.78 132.08 36.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.716 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -102.05 143.78 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -126.14 126.45 44.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -106.4 78.51 0.53 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.204 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.61 -46.15 1.4 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.194 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -27.08 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.0 112.23 4.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 104' ' ' THR . . . 155.6 57.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.255 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -171.12 -170.72 0.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.838 0.351 . . . . 0.0 110.63 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.67 19.25 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.0 t -64.61 142.58 58.37 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.86 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.499 ' CZ ' ' CD2' ' A' ' 154' ' ' TYR . 12.3 m-85 -89.54 139.11 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -110.83 85.16 4.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.784 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 59.1 Cg_endo -71.94 149.33 53.07 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.599 2.199 . . . . 0.0 112.405 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -155.77 142.99 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.79 144.8 12.64 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.582 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.54 -166.17 28.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 177.27 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.42 -165.03 32.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.4 157.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.584 ' HA ' HG23 ' A' ' 93' ' ' THR . 24.2 t-20 -113.91 136.15 53.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.992 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' CZ ' ' CG ' ' A' ' 144' ' ' TRP . 28.2 m-85 -121.05 141.81 50.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.89 114.14 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 m -148.01 164.34 34.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -97.77 151.46 20.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -130.38 172.09 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.78 159.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -156.78 175.01 14.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.536 ' OD1' HD21 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -102.59 27.04 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.9 tt -146.07 -54.55 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.811 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.897 ' HB1' ' HD2' ' A' ' 130' ' ' ARG . . . -64.45 150.35 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.63 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -92.21 42.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.214 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.897 ' HD2' ' HB1' ' A' ' 127' ' ' ALA . 3.0 mpp_? -81.09 -34.36 32.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.773 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -57.49 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.58 -30.99 67.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -24.6 66.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.16 -15.15 33.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.673 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.86 161.15 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.88 -53.59 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 13.2 p -163.63 163.04 24.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 16.2 ttt -141.62 114.37 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.35 134.95 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.1 tp -98.45 -42.87 7.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -72.98 156.41 38.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.44 36.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.3 m -129.64 111.06 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' TRP . . . . . 0.407 ' CG ' ' CZ ' ' A' ' 118' ' ' TYR . 19.8 p90 -124.45 132.03 53.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 171' ' ' ILE . . . -82.63 156.0 34.41 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.637 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.99 120.21 23.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.07 151.4 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.87 152.72 22.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 167' ' ' TRP . 0.0 OUTLIER -145.72 117.24 8.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.35 118.38 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -166.25 -144.91 4.26 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.767 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 16.7 m-85 -136.15 176.98 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.437 ' OD2' ' ND2' ' A' ' 163' ' ' ASN . 8.1 t70 -140.19 117.52 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -112.18 85.68 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.008 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.487 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.8 ptt? -84.62 152.8 23.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.7 -28.15 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.06 4.33 4.22 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.536 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.39 -48.11 9.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.428 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -135.14 -35.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -163.97 -173.04 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.487 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.2 OUTLIER -116.85 163.94 15.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -110.82 134.42 52.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.437 ' ND2' ' OD2' ' A' ' 153' ' ' ASP . 8.6 m120 -128.21 111.33 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -123.54 124.57 43.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.64 170.86 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.467 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 198' ' ' VAL . 33.3 m -96.93 129.29 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.776 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.469 ' O ' HG11 ' A' ' 198' ' ' VAL . 0.1 OUTLIER -114.73 142.18 46.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.66 153.54 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.738 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 103.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.98 119.62 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.426 ' HA ' ' CA ' ' A' ' 145' ' ' GLY . 32.4 pt -76.8 129.07 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -126.67 147.29 49.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 6.0 p -134.95 154.25 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.8 39.78 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -116.57 -58.23 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.4 t -75.83 81.0 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.459 ' O ' HD12 ' A' ' 177' ' ' ILE . 1.8 pp -122.66 112.73 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -85.52 122.08 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 74.25 133.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.48 -47.8 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.38 2.054 . . . . 0.0 112.343 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 7.8 m -167.22 31.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 179.49 82.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 5.8 tt -159.87 126.91 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 68.22 130.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 185' ' ' VAL . 6.0 m -125.53 88.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -91.7 85.12 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -135.6 22.21 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.084 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.9 m -164.73 31.85 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -131.5 151.87 51.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.054 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 190' ' ' VAL . 14.0 t 70.96 8.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.709 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 48.79 -173.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.855 0.36 . . . . 0.0 111.257 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.2 p -81.34 127.21 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.75 164.77 25.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 30.6 m -83.64 -179.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.19 161.23 24.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.53 108.82 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.581 2.187 . . . . 0.0 112.29 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 197' ' ' TRP . 0.0 OUTLIER -90.81 98.15 11.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 166' ' ' VAL . 28.5 t -101.23 135.25 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.002 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.74 140.21 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.48 143.29 47.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 201' ' ' ILE . 2.7 pp -134.85 147.91 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.41 -165.53 22.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -122.0 -178.09 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.673 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -154.66 164.41 31.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.494 ' HB2' HD13 ' A' ' 9' ' ' ILE . 5.5 m-85 -135.99 143.11 44.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -105.49 113.99 27.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 159.83 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 5.8 mp -83.12 142.3 31.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -140.74 119.09 12.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.842 0.353 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -128.6 -52.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -147.46 138.38 23.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -78.99 115.95 18.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.58 5.14 34.27 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.818 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.04 126.9 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -89.93 121.03 31.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.506 HG23 ' HA ' ' A' ' 206' ' ' LYS . 22.0 mt -133.29 142.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.414 ' CG1' ' CE1' ' A' ' 49' ' ' PHE . 3.7 mp -106.22 135.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.59 102.07 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.57 -168.46 44.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.79 165.69 17.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.581 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CG ' ' HG ' ' A' ' 45' ' ' LEU . 11.2 t80 -162.79 157.29 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.65 162.92 27.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.4 p -82.16 79.06 8.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.3 m -76.79 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.68 146.23 35.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.78 135.56 57.38 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.529 2.153 . . . . 0.0 112.27 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -160.43 30.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.18 -31.4 49.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 t -161.41 129.46 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 m -137.95 104.54 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.7 p -108.57 -27.42 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 44.83 44.12 7.5 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 mt -103.69 -51.99 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -118.7 31.04 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HG ' ' N ' ' A' ' 28' ' ' ASP . 8.2 tp -121.12 160.57 23.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.519 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 3.0 p30 -137.59 130.49 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.06 -152.52 9.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.01 154.98 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -144.76 142.37 29.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -102.11 30.69 4.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 64.17 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.2 66.74 3.58 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -94.19 -51.92 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.13 85.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.8 -179.7 3.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.8 p -110.35 166.17 11.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 40' ' ' ASP . 27.8 m -122.89 -43.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 39' ' ' VAL . 4.2 m-20 -117.44 127.15 53.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 m -130.38 -61.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -165.71 137.67 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.08 -43.57 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.75 156.09 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HG ' ' CG ' ' A' ' 13' ' ' PHE . 7.7 mp -90.6 163.47 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.465 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -86.19 142.95 19.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 144.37 49.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -137.18 145.51 43.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' CG1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -123.39 108.93 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 t -102.85 149.11 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.296 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -123.16 92.23 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.01 131.41 48.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 15.5 t80 -117.98 162.84 17.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -58.25 161.59 4.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.75 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.93 -61.05 0.36 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.012 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.77 40.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.603 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.7 m-90 -107.76 162.59 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.967 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.16 146.18 9.41 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.458 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.56 111.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.795 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.98 149.38 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 48' ' ' THR . 5.8 mp -130.66 129.47 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.728 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 t -95.12 135.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.276 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 130.05 2.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' O ' HD11 ' A' ' 90' ' ' LEU . . . -128.36 168.97 14.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.207 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -64.53 147.91 97.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 65' ' ' THR . 45.5 Cg_endo -68.44 156.14 66.66 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -162.11 33.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.33 -60.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.14 162.78 13.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.67 160.37 40.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.63 158.43 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.545 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -99.66 161.8 13.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.44 -30.58 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -89.99 52.53 2.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.85 -30.05 3.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.589 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER 61.01 83.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.922 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.48 68.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.94 175.29 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.537 2.158 . . . . 0.0 112.328 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.18 169.23 29.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.419 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 60.3 87.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.02 98.38 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.98 -166.55 21.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 87.53 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.84 108.66 21.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.7 162.43 14.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 t0 60.91 68.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -72.78 163.09 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -152.48 117.37 5.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -167.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.556 HD11 ' O ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -76.24 112.21 19.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.765 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.01 160.13 33.67 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.484 2.123 . . . . 0.0 112.414 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.52 110.58 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.0 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -87.69 137.68 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.14 127.16 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.637 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 115' ' ' GLY . 0.6 OUTLIER -132.56 134.41 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.234 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.94 124.48 33.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.56 137.02 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.437 ' HH ' ' HE1' ' A' ' 57' ' ' TRP . 20.5 m-85 -136.69 144.15 43.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.663 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -117.05 83.27 14.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.28 -52.12 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.757 2.304 . . . . 0.0 112.504 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.418 ' HE3' ' HB3' ' A' ' 110' ' ' PRO . 5.5 ptt? -120.19 33.05 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.69 114.51 3.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.343 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.23 43.1 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.262 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 p -135.03 -170.41 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.768 0.318 . . . . 0.0 110.432 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.3 19.24 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.359 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 p -82.09 130.14 35.0 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 110.799 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.53 -62.95 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' A' ' 108' ' ' PHE . 12.7 p90 -70.94 119.76 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 107.14 17.81 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.168 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HB3' ' HE3' ' A' ' 101' ' ' MET . 59.6 Cg_endo -71.94 153.18 58.12 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.445 2.097 . . . . 0.0 112.016 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.512 ' OH ' ' HB2' ' A' ' 165' ' ' ALA . 15.1 p90 -163.61 146.28 9.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 98' ' ' TYR . . . -153.93 155.05 25.92 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.243 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.32 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.667 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.3 -178.89 3.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 95' ' ' LEU . . . -157.94 171.23 34.94 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.762 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.3 p -155.06 147.67 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -110.81 127.47 55.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -133.93 140.27 46.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.0 p -96.39 112.98 24.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.2 m -131.47 155.2 47.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -96.34 142.08 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -147.23 144.53 28.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -160.31 -55.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -169.0 -170.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.37 -31.9 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.79 132.55 53.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.49 177.8 8.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.2 -67.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -70.78 -35.75 72.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -72.13 -50.46 27.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -64.52 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.0 95.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -93.35 -31.34 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.27 27.82 47.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -127.82 152.99 47.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 p -95.59 -42.56 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.0 t -173.18 160.22 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.91 -44.96 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -75.07 -31.3 61.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.42 -71.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 63.54 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.02 41.41 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.954 0.407 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.48 128.58 33.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.731 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -128.84 134.93 48.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.43 151.69 19.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.35 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -174.55 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.007 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.03 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -136.33 157.18 23.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.873 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.06 116.84 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.538 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 4.3 mp -149.82 133.32 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.47 -144.89 7.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.617 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -146.16 129.39 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -96.69 113.99 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 3.1 t80 -104.0 85.67 2.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.394 . . . . 0.0 111.217 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.538 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -76.66 142.46 40.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.948 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -31.87 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.96 -0.43 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.803 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.54 -48.0 9.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -134.41 -36.87 0.87 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.721 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -161.14 -173.04 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.787 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.9 pp -116.81 170.53 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -122.82 129.33 51.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -120.53 122.78 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.402 ' HG3' ' CG1' ' A' ' 201' ' ' ILE . 0.3 OUTLIER -137.68 117.13 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.65 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.538 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -156.18 176.04 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.452 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.797 HG12 ' HB3' ' A' ' 199' ' ' TYR . 32.7 m -96.84 116.62 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.74 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.4 110.21 22.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.47 128.46 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.81 163.96 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -83.18 167.14 18.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.088 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.517 ' O ' HG23 ' A' ' 171' ' ' ILE . 7.4 tt -109.23 118.3 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.166 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.6 122.43 40.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 54.0 p -84.78 167.02 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.83 -46.5 0.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -124.67 -46.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.4 m 60.07 90.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 6.6 pt -85.64 156.24 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -100.48 143.18 30.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 118.27 -120.05 4.58 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.94 114.53 3.76 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.457 2.105 . . . . 0.0 112.298 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.5 t -85.0 -37.27 20.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -123.13 148.57 45.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.2 176.99 8.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 135.75 143.01 4.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.93 -57.14 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.17 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -165.39 35.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -103.13 101.72 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 4.5 p -140.98 162.77 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.54 109.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.29 100.61 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.36 105.78 15.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 11.1 m -102.0 -38.11 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -178.65 -39.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.5 p -168.03 136.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -77.1 141.08 66.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.33 95.41 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.446 2.097 . . . . 0.0 112.385 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' TRP . . . . . 0.48 ' CZ3' HG11 ' A' ' 166' ' ' VAL . 0.9 OUTLIER -92.43 105.12 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 3.8 m -94.82 114.26 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.797 ' HB3' HG12 ' A' ' 166' ' ' VAL . 2.3 p90 -145.83 143.09 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.99 155.74 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 201' ' ' ILE . 3.0 mp -120.28 147.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -147.47 -167.1 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.562 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.4 150.57 28.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.721 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -155.23 -157.01 8.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.437 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -137.97 146.64 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.506 ' HA ' HG23 ' A' ' 8' ' ' ILE . 17.0 tttm -105.07 135.27 46.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.55 139.78 53.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.13 160.6 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.54 34.9 4.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.773 0.321 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -128.02 80.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -156.09 -177.57 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -85.14 139.77 31.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' CE1' ' A' ' 7' ' ' PHE . . . 102.11 -1.98 51.18 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.756 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.94 150.37 29.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 5' ' ' GLY . 19.0 m-85 -119.01 115.45 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 205' ' ' TYR . 3.9 mp -124.9 128.18 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.747 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.9 mt -96.51 106.47 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.226 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HA ' ' HA2' ' A' ' 204' ' ' GLY . 0.4 OUTLIER -96.53 160.32 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.711 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 203' ' ' PHE . . . -149.92 -162.38 10.44 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.606 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' HA2' ' HA2' ' A' ' 202' ' ' GLY . . . 170.61 154.7 9.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.535 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.1 t80 -87.01 167.02 14.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.44 117.96 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.32 111.73 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.9 m -98.32 -33.91 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -155.28 161.11 30.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 146.01 57.92 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.53 2.153 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.12 -33.66 11.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -60.82 -53.65 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.74 157.55 29.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 m -90.04 132.33 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.63 154.66 33.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -130.2 172.86 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.709 HD12 ' HB2' ' A' ' 26' ' ' LYS . 2.2 pp -134.2 -42.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.303 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.709 ' HB2' HD12 ' A' ' 25' ' ' ILE . 22.7 tttt -109.26 132.5 54.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER 61.1 157.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.537 ' N ' HD23 ' A' ' 27' ' ' LEU . 5.3 m-20 -66.14 144.81 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.46 133.2 11.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.437 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.55 93.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -117.65 43.36 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -165.6 -41.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 145.6 1.46 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.53 144.26 45.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.643 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.54 33.91 23.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 111.029 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -141.79 101.75 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.2 160.87 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 p -95.19 130.82 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 m -146.84 30.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.88 171.51 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -121.32 97.66 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.44 86.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 43' ' ' THR . 9.4 m -133.98 23.16 3.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.569 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -93.76 155.07 17.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.569 HD22 ' C ' ' A' ' 44' ' ' GLN . 3.1 mm? -116.04 -178.39 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.436 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -75.03 143.12 30.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.361 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.747 HD21 ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -131.0 144.96 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.278 . . . . 0.0 110.734 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.877 HG22 ' HA ' ' A' ' 62' ' ' VAL . 70.3 p -140.3 157.88 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.5 120.32 38.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.85 127.4 53.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -109.93 86.49 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.75 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.99 130.43 46.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -113.73 -176.46 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -54.14 153.42 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.066 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.9 -61.56 0.49 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.824 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER 164.61 39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.968 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CE2' ' HB3' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -83.82 -174.86 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.632 179.778 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 121.42 0.57 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.597 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.917 HG22 HD23 ' A' ' 96' ' ' LEU . 22.1 t -101.72 111.75 32.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.854 0.359 . . . . 0.0 110.671 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.22 140.86 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 ' HG ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -127.29 132.72 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.641 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.877 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.4 t -91.32 125.53 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.15 131.08 2.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . -138.11 127.79 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 111.216 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -142.15 131.38 12.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.807 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.35 108.09 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.367 2.045 . . . . 0.0 112.168 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.15 145.81 36.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -159.25 101.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -113.46 141.13 47.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.87 -40.14 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.1 m -131.3 179.04 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.48 135.13 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 74' ' ' LYS . 21.5 t -59.07 158.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -99.02 36.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.54 -159.11 11.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt -112.16 153.57 26.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -100.04 97.28 1.74 Allowed Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.17 102.64 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.541 2.161 . . . . 0.0 112.307 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.73 -179.17 28.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tp -139.37 104.68 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 0.0 110.825 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -131.17 176.46 8.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.44 175.41 19.31 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.409 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.93 144.28 26.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.499 HD13 ' CB ' ' A' ' 92' ' ' ALA . 6.4 tp 60.81 79.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.27 -52.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.62 35.87 2.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.468 HG22 HD11 ' A' ' 90' ' ' LEU . 1.5 pt -80.73 136.03 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.59 -33.58 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.504 ' H ' HD23 ' A' ' 90' ' ' LEU . 37.0 tp60 -166.7 76.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -169.61 126.67 0.79 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.78 170.1 20.4 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.463 2.109 . . . . 0.0 112.273 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' CB ' HD13 ' A' ' 84' ' ' LEU . . . -142.27 104.95 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.1 m -101.72 146.15 28.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.479 ' HG ' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.79 148.13 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 149' ' ' GLU . 4.5 tt -159.2 123.95 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.38 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.917 HD23 HG22 ' A' ' 59' ' ' VAL . 1.4 mt -91.96 115.71 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.392 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -101.97 149.96 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 57' ' ' TRP . 25.8 p90 -150.09 138.61 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.605 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' A' ' 56' ' ' LYS . 36.0 p90 -49.2 106.55 0.64 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.06 -47.36 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.397 2.065 . . . . 0.0 112.23 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 26.3 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.98 117.71 5.76 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.16 44.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.246 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -170.58 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.612 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -84.47 19.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.448 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 52.9 p -79.04 135.98 37.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.842 0.353 . . . . 0.0 110.807 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.83 -32.65 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 106' ' ' SER . 24.6 p90 -73.22 151.7 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -100.53 96.98 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.04 137.47 41.06 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.451 2.101 . . . . 0.0 112.235 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.79 138.02 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.818 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -152.86 150.3 22.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.386 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.83 -164.85 36.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.744 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.56 179.31 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.718 0.294 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -179.2 -164.98 32.72 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.69 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 117' ' ' ASN . 33.1 t -113.32 154.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.773 0.32 . . . . 0.0 111.037 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 116' ' ' VAL . 1.6 t-20 -120.91 128.57 52.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.86 104.13 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.6 t -136.31 149.97 48.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.9 p -104.85 161.98 13.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -128.33 135.27 49.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.23 158.5 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.49 143.01 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.595 ' OE2' ' HB3' ' A' ' 127' ' ' ALA . 4.7 pt-20 -92.43 130.21 38.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.85 -44.42 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.04 -66.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.595 ' HB3' ' OE2' ' A' ' 124' ' ' GLU . . . -79.65 177.64 8.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 45.2 m -98.69 -178.67 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -144.34 176.21 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -70.51 -51.08 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -62.99 -30.78 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.86 -14.54 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.42 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -95.91 29.98 2.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.759 0.314 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.99 30.77 70.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.557 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -118.02 102.39 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -100.54 -58.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.28 149.37 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.2 mmt -146.85 -60.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -147.79 -47.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 140' ' ' LEU . 2.5 mm? -84.43 172.15 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.776 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -75.65 -77.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -153.38 -68.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.967 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 54.8 p -172.04 131.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' TRP . . . . . 0.552 ' HH2' HD12 ' A' ' 140' ' ' LEU . 41.7 p90 -159.01 172.54 18.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -164.37 -172.47 31.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.81 122.36 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 156.51 17.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.08 138.27 10.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.719 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.634 ' HG3' HD13 ' A' ' 95' ' ' LEU . 56.0 mt-10 -134.69 116.86 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.818 HD23 ' HA3' ' A' ' 112' ' ' GLY . 4.6 mt -144.68 130.97 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 173.49 -145.02 8.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.69 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -142.2 169.48 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.28 115.16 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 8.9 t80 -104.74 85.66 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.144 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.542 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 7.4 ptt? -65.61 148.35 51.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.87 -36.98 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.9 t30 78.66 -2.51 2.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.724 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.32 -48.08 9.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.097 0.475 . . . . 0.0 110.473 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.81 -36.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.701 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -164.77 -172.95 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.631 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.9 pp -116.94 166.77 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.974 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -108.45 137.21 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 111.009 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.73 111.23 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.9 ttp -128.75 138.28 52.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.55 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -168.8 176.96 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 199' ' ' TYR . 35.2 m -96.92 117.7 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -92.72 110.51 21.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.46 128.31 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -68.89 148.56 50.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -63.4 164.83 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.0 pt -132.03 120.31 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.62 140.3 29.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 34.6 p -94.27 111.08 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.96 31.04 4.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -72.57 88.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.05 -51.94 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.93 127.61 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -64.69 118.51 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 110.12 93.56 2.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.69 148.81 15.08 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.321 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 3.5 t -59.33 125.73 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -112.91 -75.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.5 tt 63.57 137.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -152.68 136.14 5.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.661 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.55 58.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.391 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.05 -32.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 73.07 86.13 0.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.536 ' HB ' HG22 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -159.73 172.33 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.844 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -97.73 38.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.536 HG22 ' HB ' ' A' ' 188' ' ' THR . 11.7 m -128.85 108.62 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -113.06 37.72 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.69 153.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.13 129.52 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 10.9 p -119.54 149.61 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.97 116.9 67.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.36 -171.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.449 2.1 . . . . 0.0 112.182 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 7.0 m95 61.43 108.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 166' ' ' VAL . 31.5 m -121.23 135.79 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.557 ' CD1' HG12 ' A' ' 166' ' ' VAL . 6.5 m-85 -124.32 144.91 49.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.88 128.27 40.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mt -105.07 144.45 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' GLY . . . . . 0.438 ' HA2' ' HA2' ' A' ' 12' ' ' GLY . . . -157.99 -167.76 19.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.653 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 203' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 11' ' ' GLY . 42.2 p90 -121.94 176.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.462 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -159.86 171.91 36.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.623 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 8' ' ' ILE . 11.0 t80 -155.26 153.13 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.46 129.8 55.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' PHE . . . . . 0.626 ' CD2' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -82.9 133.83 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 12.4 mt -117.23 147.87 42.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.88 119.66 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 25.2 m80 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.933 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.79 0.329 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 60.7 79.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -163.77 165.7 22.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -73.76 116.6 14.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 106.7 5.25 36.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.839 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.503 ' OD2' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -59.66 123.68 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.23 109.45 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.503 HD11 ' OD2' ' A' ' 6' ' ' ASP . 3.0 mp -131.9 117.62 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.37 132.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.03 164.49 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.33 138.31 2.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.63 -170.94 27.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.55 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.727 ' HA ' HD23 ' A' ' 45' ' ' LEU . 74.4 m-85 -66.47 155.5 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.84 164.28 38.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.89 79.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.047 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.4 m -88.85 173.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.7 139.61 31.37 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.43 159.73 5.86 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.473 2.116 . . . . 0.0 112.254 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -174.33 36.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.14 -31.18 30.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.37 114.73 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -92.1 -177.62 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 p -163.56 142.88 8.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.81 30.81 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -135.16 -45.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 25' ' ' ILE . 3.6 mtpp 71.76 132.53 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.005 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.37 80.66 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.786 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -128.1 158.43 38.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.09 75.24 1.76 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.23 165.28 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.5 -44.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -109.44 148.18 31.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 66.08 -72.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.08 135.87 4.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 t -77.62 147.65 35.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -101.01 45.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.42 154.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 m -102.02 131.77 48.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 40' ' ' ASP . 10.9 p -128.54 -45.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.474 ' N ' HG13 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -71.55 114.38 9.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 m -149.04 94.97 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -149.01 153.48 37.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -126.57 -46.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -117.23 134.47 54.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 13' ' ' PHE . 4.2 mt -116.48 154.19 30.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.58 142.53 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mp -122.18 151.05 41.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -148.39 143.3 26.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -113.73 117.39 31.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.682 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.4 m -107.89 131.21 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 7.1 t80 -122.85 90.37 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 134.96 56.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -121.22 156.11 33.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -59.28 154.53 16.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.639 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 6.4 m-20 83.8 -60.84 0.11 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.312 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 159.79 43.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.414 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 30.2 m95 -127.92 -175.31 3.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.497 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.09 176.18 34.86 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.825 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.46 150.9 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.706 0.288 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -138.6 118.92 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -118.16 138.02 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.611 HG21 ' HE1' ' A' ' 167' ' ' TRP . 21.4 t -127.51 126.83 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.39 155.26 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.92 168.16 18.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 t -77.56 144.18 69.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.784 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.37 100.96 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.52 2.147 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -170.08 154.08 4.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -148.53 177.05 9.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -121.29 37.48 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.1 93.67 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.77 -36.34 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.73 102.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 73' ' ' VAL . 15.8 t -102.41 31.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -108.43 -46.48 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.09 151.44 6.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.557 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.71 172.36 17.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.17 150.23 16.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.431 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.08 174.82 9.22 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.52 53.84 0.8 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mp 64.23 -79.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.17 144.22 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.817 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.65 146.34 17.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -135.36 -47.94 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.677 HD13 ' HB ' ' A' ' 87' ' ' ILE . 0.7 OUTLIER -88.5 -171.08 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.01 -70.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 87' ' ' ILE . 13.6 t70 -95.66 -69.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.677 ' HB ' HD13 ' A' ' 84' ' ' LEU . 5.3 tp 44.2 43.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.09 0.472 . . . . 0.0 111.507 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.7 -61.45 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -130.87 86.57 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.82 144.75 56.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.68 125.91 10.39 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.469 2.113 . . . . 0.0 112.406 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -159.08 146.99 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -119.81 135.23 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mp -128.17 124.01 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 115' ' ' GLY . 0.9 OUTLIER -138.1 154.61 49.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.42 150.79 19.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -101.75 144.74 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 57.5 t80 -150.0 125.51 10.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.2 p90 -132.58 90.26 33.65 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.796 0.331 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 98' ' ' TYR . 72.3 Cg_endo -77.13 -44.3 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.676 2.251 . . . . 0.0 112.258 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 73.0 mtm -102.84 28.44 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.14 131.89 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.71 43.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.214 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 -170.43 3.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -83.36 19.19 1.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.539 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -61.44 153.77 26.2 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.41 -52.83 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -96.7 146.71 24.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -116.75 87.6 22.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.3 148.8 68.85 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.507 2.138 . . . . 0.0 112.264 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.76 137.97 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.15 146.05 16.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.386 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.01 159.58 24.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.752 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.42 123.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.703 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.595 ' N ' HD23 ' A' ' 95' ' ' LEU . . . -161.65 -164.83 17.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.559 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.8 m -115.78 159.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 3.4 t-20 -130.86 126.9 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 118' ' ' TYR . 3.3 p90 -133.02 112.18 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.2 p -137.21 128.48 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.2 t -114.19 113.62 24.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -121.24 139.19 53.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -154.19 133.82 12.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -143.66 118.46 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -101.18 148.7 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.26 27.06 4.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 mt 59.86 90.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -99.58 135.39 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.75 32.69 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.986 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -143.59 -54.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -69.48 -39.87 77.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -68.24 -31.23 70.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.18 75.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -31.81 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.85 15.88 76.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.731 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -135.01 99.23 4.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -95.62 -57.03 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.41 175.89 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 49.8 mtp -128.1 31.44 5.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.42 115.27 5.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.28 139.56 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -83.9 117.55 23.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.46 83.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.61 134.96 16.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 30.0 p90 -109.41 141.48 41.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -88.97 173.27 41.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.408 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.04 132.75 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 117' ' ' ASN . . . -117.31 151.55 36.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.52 156.16 27.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.18 136.14 18.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.436 ' C ' HD23 ' A' ' 150' ' ' LEU . 7.5 tt -145.78 126.74 14.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.402 ' N ' HD23 ' A' ' 150' ' ' LEU . . . -168.05 -144.99 4.37 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.88 152.47 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 163' ' ' ASN . 28.2 m-20 -121.42 122.9 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.696 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 41.9 t80 -106.52 85.16 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.001 0.429 . . . . 0.0 111.217 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.918 ' HB2' HD22 ' A' ' 161' ' ' LEU . 1.5 ptt? -66.51 140.36 57.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.828 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.28 -36.96 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.42 -4.27 2.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -85.37 -48.01 9.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.034 0.445 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -134.55 -35.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.626 ' C ' HD23 ' A' ' 161' ' ' LEU . . . -165.63 -172.91 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.918 HD22 ' HB2' ' A' ' 155' ' ' MET . 1.7 mt -117.0 169.3 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -113.21 138.87 49.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.455 ' ND2' ' OD1' ' A' ' 153' ' ' ASP . 1.9 t-20 -131.73 110.33 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 87.8 mtp -130.75 126.89 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -163.86 164.54 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 198' ' ' VAL . 23.6 t -97.02 122.6 48.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.611 ' HE1' HG21 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -89.93 149.14 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -130.38 101.86 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.3 mtp -99.11 133.74 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -130.91 132.78 45.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 15.0 pt -132.76 130.25 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.35 119.11 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 75.3 p -90.93 136.27 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 68.81 -66.71 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 61.39 96.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.476 ' O ' HD13 ' A' ' 177' ' ' ILE . 90.9 p -83.38 -178.47 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 176' ' ' SER . 29.3 mm -123.05 147.05 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -93.51 129.59 39.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . -151.44 -178.45 26.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.49 143.26 45.71 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.563 2.175 . . . . 0.0 112.32 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.5 m 60.94 32.67 19.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 179' ' ' GLY . . . -90.01 168.8 11.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 184' ' ' GLY . 1.0 OUTLIER -142.93 159.05 42.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLY . . . . . 0.424 ' N ' HD23 ' A' ' 183' ' ' LEU . . . 162.72 101.36 0.16 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 185' ' ' VAL . 15.9 m -139.39 92.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 111.145 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.12 74.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -140.32 163.88 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.6 m 60.33 89.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -106.98 122.34 46.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 190' ' ' VAL . 11.2 p -162.68 112.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -107.18 -35.88 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.91 164.74 22.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.3 -58.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 194' ' ' VAL . 10.9 p -135.53 53.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 195' ' ' ASP . . . . . 0.53 ' OD2' HG12 ' A' ' 198' ' ' VAL . 0.4 OUTLIER -165.91 70.76 1.24 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.91 -61.83 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.591 2.194 . . . . 0.0 112.326 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -103.77 108.43 19.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.883 ' O ' HG13 ' A' ' 166' ' ' VAL . 6.8 m -88.25 106.25 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -146.13 141.18 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.44 ' CB ' ' CE3' ' A' ' 167' ' ' TRP . 3.3 tpt -130.43 123.53 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.9 tt -127.36 146.47 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.94 20.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -122.48 -178.78 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.63 148.22 19.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -136.54 138.96 41.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.312 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -109.02 141.04 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.86 145.59 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.2 tt -128.61 122.13 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -150.89 157.62 43.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 47.9 m80 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.898 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.811 0.339 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -110.32 72.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.41 -173.1 2.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.507 ' HB2' ' H ' ' A' ' 54' ' ' ALA . . . -69.01 148.84 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.89 -2.06 66.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.749 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.414 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 0.4 OUTLIER -59.56 141.76 54.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -108.2 121.51 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 206' ' ' LYS . 11.8 pt -144.62 144.81 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.455 HD11 ' CE2' ' A' ' 205' ' ' TYR . 1.9 pp -113.96 145.67 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.249 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.562 ' NE ' HD11 ' A' ' 161' ' ' LEU . 12.6 mmt85 -131.39 112.56 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.92 -178.79 35.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 202' ' ' GLY . . . 165.99 152.86 7.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.688 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -56.79 144.77 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.36 48.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.8 m 57.88 106.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 p -170.15 146.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -124.65 113.68 27.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.5 173.12 9.31 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.497 2.131 . . . . 0.0 112.392 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.58 32.18 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.048 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.78 -45.72 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 p -84.59 67.84 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.61 134.85 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -166.41 102.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.25 143.08 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.9 mt 63.93 88.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -115.04 82.21 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.75 145.4 47.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -75.75 -38.08 58.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.96 71.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.25 113.51 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 31.39 3.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -128.57 150.32 50.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -41.89 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.17 80.76 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.5 m -92.14 128.2 37.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -127.53 -45.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.09 31.16 19.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 m -164.0 155.13 15.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 40' ' ' ASP . 13.9 m -141.01 -47.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 39' ' ' VAL . 22.5 t70 -94.66 97.77 10.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -76.46 90.12 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.81 149.32 22.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -121.95 -56.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -129.42 137.23 50.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.592 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.19 157.1 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.14 154.1 45.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.16 134.33 55.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.626 HG23 HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -114.73 136.07 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -101.04 116.04 31.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.2 146.03 31.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.34 107.04 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.703 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.414 ' HB2' ' CB ' ' A' ' 6' ' ' ASP . 16.6 mtt -69.75 127.89 34.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.2 m-85 -118.28 165.44 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.507 ' H ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.92 154.03 19.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.793 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.8 OUTLIER 79.4 -61.41 0.32 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.904 179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 162.37 44.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.958 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.407 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.2 m-90 -102.51 144.8 30.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.196 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.35 125.35 2.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.254 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.616 ' HA ' HD23 ' A' ' 96' ' ' LEU . 21.6 t -101.77 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.47 139.69 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD11 ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -136.81 107.62 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.382 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.626 HG12 HG23 ' A' ' 48' ' ' THR . 32.3 m -90.78 119.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 111.455 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.18 -175.32 3.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.697 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . . . -78.32 166.13 23.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.973 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -60.78 135.71 92.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.69 145.65 37.28 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.476 2.117 . . . . 0.0 112.333 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.66 134.84 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.46 136.59 55.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.09 96.41 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.88 -64.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.28 146.53 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -175.67 -48.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.9 m -114.42 142.95 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -115.98 -38.99 3.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.59 110.38 1.48 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.88 159.44 19.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.788 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.97 96.71 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.85 145.79 69.81 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.506 2.137 . . . . 0.0 112.372 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.64 -54.26 0.76 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 80' ' ' LEU . 4.0 mm? -87.63 -37.82 16.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.09 157.91 16.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.61 107.07 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -65.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.58 160.12 42.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.79 150.02 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -115.59 25.98 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mp -142.08 116.83 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 25.91 7.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.697 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -119.68 173.42 7.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.567 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.575 HD13 ' H ' ' A' ' 122' ' ' PHE . 12.8 mt -159.52 -65.43 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.344 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.451 ' CD ' ' HB2' ' A' ' 90' ' ' LEU . 38.5 Cg_endo -66.47 167.85 17.8 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.363 2.042 . . . . 0.0 112.533 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.0 148.81 22.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.669 HG23 ' HA ' ' A' ' 117' ' ' ASN . 86.9 m -132.54 143.81 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 94' ' ' LEU . 3.6 mp -115.64 143.13 45.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.759 HD13 ' HG3' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -149.46 142.95 25.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.153 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 59' ' ' VAL . 58.2 mt -118.53 111.15 18.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.244 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -101.82 153.18 20.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.422 . . . . 0.0 111.107 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 19.9 m-85 -122.59 140.36 52.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.752 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 p90 -123.77 87.3 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.35 -51.74 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.415 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.36 -27.05 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.55 118.44 14.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.377 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.66 44.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.202 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.667 HG23 ' H ' ' A' ' 106' ' ' SER . 10.2 t -144.48 -170.38 3.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 110.667 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.07 19.11 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.54 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.667 ' H ' HG23 ' A' ' 104' ' ' THR . 6.6 t -86.64 153.95 21.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.781 0.324 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.22 -30.33 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -77.37 131.48 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -128.34 90.35 47.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 152' ' ' PHE . 55.4 Cg_endo -70.19 146.5 57.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.611 2.208 . . . . 0.0 112.372 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.79 137.99 28.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.67 136.65 5.48 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.76 ' C ' HD22 ' A' ' 114' ' ' LEU . . . -179.15 -164.78 32.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.996 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.76 HD22 ' C ' ' A' ' 113' ' ' GLY . 4.3 mm? -133.57 -178.82 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 110.897 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.99 -164.89 32.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.715 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.39 143.82 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.669 ' HA ' HG23 ' A' ' 93' ' ' THR . 0.8 OUTLIER -108.91 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -106.36 128.16 53.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.36 104.05 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 46.2 m -116.84 128.3 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -126.79 134.75 50.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.575 ' H ' HD13 ' A' ' 90' ' ' LEU . 2.4 m-85 -91.04 -173.61 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.35 163.58 25.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 127' ' ' ALA . 4.8 mm-40 -81.77 150.83 27.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.81 -42.49 13.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.56 -47.2 42.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 124' ' ' GLU . . . -72.03 166.12 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 61.8 m 60.44 161.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.94 -51.1 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -64.71 -39.2 93.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -75.57 -25.87 57.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.24 -1.64 37.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.683 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -91.34 30.05 1.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.645 0.26 . . . . 0.0 111.4 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.76 44.93 3.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.598 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -135.0 83.3 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -52.64 4.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.96 164.29 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.5 ttm -110.56 25.06 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 -71.73 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.24 -178.61 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -130.45 -174.02 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -57.44 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.65 171.08 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 42.0 p90 -134.45 161.76 34.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.44 163.84 21.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.04 140.76 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.1 151.88 33.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.564 ' HA2' HD21 ' A' ' 95' ' ' LEU . . . -152.68 148.23 18.84 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.759 ' HG3' HD13 ' A' ' 95' ' ' LEU . 8.8 mt-10 -145.74 121.41 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.23 118.74 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -175.29 -144.91 5.2 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.625 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 110' ' ' PRO . 29.2 p90 -150.53 149.4 29.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.092 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.51 114.95 29.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.705 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 89.0 t80 -99.02 85.69 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.585 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.1 ptp -71.11 144.61 50.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.407 HD22 ' CG ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -94.66 -34.45 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 t30 77.26 -0.94 2.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.407 ' CG ' HD22 ' A' ' 156' ' ' LEU . 11.2 mm-40 -85.44 -48.09 9.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 110.525 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -136.75 -35.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -161.48 -172.81 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.6 pp -116.95 168.77 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.748 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -118.76 142.99 47.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 111.108 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -125.6 117.44 23.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.64 128.52 42.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.5 175.02 8.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.89 126.21 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -99.31 136.71 38.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -129.11 139.42 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.0 112.34 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.086 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.01 90.93 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 34.3 pt -79.42 133.26 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.45 97.13 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.5 t -152.42 164.05 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 178.81 6.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.791 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -103.26 155.91 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 67.9 m -60.0 104.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 21.7 mt -74.36 -30.99 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.5 115.12 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 74.55 74.15 0.88 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.39 -171.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.518 2.145 . . . . 0.0 112.324 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 9.0 t -106.73 -32.66 7.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -143.77 -178.17 5.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.1 141.88 39.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -175.16 -166.72 33.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.538 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 186' ' ' ASN . 12.3 p -128.38 -44.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.477 ' N ' HG13 ' A' ' 185' ' ' VAL . 61.5 t-20 -62.18 115.61 4.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.32 -38.63 3.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 5.7 t -72.7 151.1 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.59 98.11 5.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.797 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.99 -53.33 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -64.72 91.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.71 104.22 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.03 106.99 11.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 194' ' ' VAL . 11.9 p -132.09 55.57 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -152.31 81.71 5.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.12 93.05 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.509 2.139 . . . . 0.0 112.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' TRP . . . . . 0.424 ' HA ' ' CE3' ' A' ' 197' ' ' TRP . 0.0 OUTLIER -98.77 47.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 m -95.38 164.78 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -137.64 154.07 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 4.0 tpt -114.03 127.52 55.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 201' ' ' ILE . 14.2 tt -147.09 114.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 202' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 12' ' ' GLY . . . -143.33 -167.15 11.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.68 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -160.48 131.56 5.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.195 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.557 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -144.31 -156.99 7.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.48 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.455 ' CE2' HD11 ' A' ' 9' ' ' ILE . 9.7 p90 -158.93 143.71 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.683 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -88.52 140.99 28.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.04 154.73 27.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.9 tp -135.16 148.94 49.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.31 -46.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.929 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -117.29 94.37 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.808 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.11 -168.91 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.08 45.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.42 1.66 50.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.83 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 122.76 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.772 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -87.21 120.36 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 7' ' ' PHE . 27.7 mm -130.22 124.16 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 tt -99.55 150.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -135.38 149.38 49.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.75 138.73 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.838 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -146.9 167.3 28.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.561 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -83.86 125.56 32.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 104.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 p -65.77 155.13 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.576 HG11 HG23 ' A' ' 43' ' ' THR . 15.3 m -144.66 133.67 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.8 100.48 9.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.97 167.55 21.29 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.292 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 61.54 43.75 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -99.28 -49.65 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -147.69 -58.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.3 m 63.12 -79.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.57 174.32 9.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.25 -177.77 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 tp -63.4 -33.17 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -92.07 109.91 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -43.27 15.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.79 150.28 47.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.64 -114.2 0.74 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.14 -45.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 tptm 61.59 33.31 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.36 87.19 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -91.99 -51.65 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.67 -40.41 1.72 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.56 90.9 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -133.56 149.53 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.82 97.58 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 p -138.62 128.95 25.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.14 -46.66 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 179.41 -43.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.73 -36.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 73.47 96.8 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.576 HG23 HG11 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -128.96 23.03 5.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.983 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -84.3 129.71 34.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' A' ' 12' ' ' GLY . 9.2 tt -72.56 128.55 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.34 137.39 13.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.551 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.03 128.54 56.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.345 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.699 HG23 ' C ' ' A' ' 61' ' ' LEU . 61.7 m -133.06 136.73 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -101.52 128.95 47.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.504 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -127.64 113.79 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.211 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.42 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 5.6 t80 -86.74 120.62 28.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.343 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.34 116.64 17.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.516 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 1.6 m-85 -102.67 168.87 8.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.9 150.23 2.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 74.29 -62.99 0.44 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 10.4 mttt 164.37 37.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.104 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.733 ' HZ2' HD23 ' A' ' 96' ' ' LEU . 4.3 t90 -99.4 179.02 4.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.701 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 166.19 165.18 23.12 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.405 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.53 112.2 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.79 131.39 42.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.083 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.699 ' C ' HG23 ' A' ' 48' ' ' THR . 6.2 tt -137.13 109.1 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 48' ' ' THR . 10.3 p -90.95 146.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.42 134.87 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.89 174.48 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.6 m -90.04 136.69 28.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.66 -168.13 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.457 2.105 . . . . 0.0 112.314 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -68.28 -54.9 14.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 59.31 105.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -165.78 122.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -107.39 169.1 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 71' ' ' VAL . 21.3 t 60.18 42.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -127.39 -55.86 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.84 136.4 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.79 -35.81 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' C ' HD12 ' A' ' 76' ' ' LEU . . . 89.62 -154.55 24.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 75' ' ' GLY . 5.2 mp -146.12 148.02 32.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.44 142.05 13.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.3 -39.74 1.46 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.555 2.17 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.53 28.08 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.65 140.76 37.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.89 106.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.72 85.26 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -128.78 121.52 28.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.3 mt -137.59 94.51 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.34 31.63 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.78 116.78 15.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.8 tt -82.3 144.72 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -88.58 -35.62 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.454 ' O ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER 61.73 88.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 89' ' ' GLN . 1.9 mm? -127.84 83.16 66.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.03 145.03 34.85 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.614 2.209 . . . . 0.0 112.422 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.82 139.62 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 117' ' ' ASN . 87.0 m -135.23 130.74 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 95' ' ' LEU . 8.4 tt -126.42 154.96 42.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 94' ' ' LEU . 2.3 pp -162.97 149.23 12.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.733 HD23 ' HZ2' ' A' ' 57' ' ' TRP . 6.3 mp -96.78 124.58 40.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -107.18 125.3 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.235 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.457 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 40.7 p90 -131.4 137.76 48.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.558 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.541 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 38.8 p90 -56.33 106.41 0.67 Allowed Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.52 -52.23 0.28 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 111.92 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -121.93 -26.28 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.1 152.11 5.35 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.843 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.06 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.281 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p -152.46 -170.66 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.5 19.15 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.593 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.0 p -63.55 161.4 14.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.57 -57.9 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -70.98 153.21 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -113.58 90.91 19.03 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 111' ' ' TYR . 31.8 Cg_exo -58.24 161.85 13.02 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.598 2.199 . . . . 0.0 112.341 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 12.2 m-85 -166.18 138.01 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -151.96 157.85 27.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.33 -166.74 39.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.02 172.21 16.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.17 -164.93 28.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.23 140.0 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.436 ' HA ' HG23 ' A' ' 93' ' ' THR . 2.0 t30 -107.1 137.84 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.03 104.23 4.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.3 p -137.15 127.04 25.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 61.4 m -110.5 136.42 49.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -139.31 137.82 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.69 148.1 15.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -176.26 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.25 151.08 23.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -96.45 -30.53 13.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.44 -66.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.49 165.18 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.219 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.5 t -79.04 -33.74 44.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.457 ' HB3' ' HB2' ' A' ' 132' ' ' ALA . 62.4 t30 -140.66 152.71 45.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -27.95 67.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 129' ' ' ASN . . . -56.54 -38.14 71.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -97.07 -30.35 13.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.77 24.61 45.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -135.11 132.94 38.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -36.67 40.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.84 175.99 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 29.6 mtp -68.21 -75.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.17 30.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.762 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.62 150.47 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.82 -45.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.14 76.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.5 t -137.94 127.37 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 38.5 p90 -105.39 176.78 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.39 161.53 25.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.73 115.34 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 167.2 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -147.46 160.83 28.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.596 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -153.87 116.93 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.786 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.522 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 3.9 mp -143.92 133.5 23.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.28 -145.08 8.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -147.01 145.77 29.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.77 114.36 28.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -97.13 85.74 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.883 ' HB3' HD23 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -65.08 153.11 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -108.01 -41.33 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 78.81 -5.61 2.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.725 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.447 ' HB2' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -85.48 -42.74 14.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 110.551 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -143.05 -35.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.28 -172.98 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 155' ' ' MET . 2.0 mp -117.03 173.13 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.19 145.87 42.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -137.6 107.98 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.561 ' CG ' HG22 ' A' ' 201' ' ' ILE . 1.3 tmt? -125.81 126.18 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -161.32 176.44 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 198' ' ' VAL . 13.9 p -97.01 120.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -89.96 116.41 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.08 116.1 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.95 160.22 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -63.7 166.95 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 25.8 mm -123.42 123.23 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -103.73 144.58 31.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 11.2 m -124.97 125.96 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -158.19 96.86 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -164.7 112.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.064 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 83.2 p -140.43 39.47 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 30.1 mm -114.5 143.52 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -92.13 145.25 24.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 159.4 149.28 5.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.36 63.26 2.79 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.614 2.209 . . . . 0.0 112.223 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 21.8 m -78.03 -45.0 24.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 60.42 158.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.33 133.98 14.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 144.87 -31.24 1.77 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 30.8 m -86.65 145.68 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -126.83 -48.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 188' ' ' THR . 20.8 pttt -173.31 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 187' ' ' LYS . 0.8 OUTLIER -167.63 72.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.31 -177.24 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.96 100.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -75.92 100.24 4.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 192' ' ' VAL . 12.4 p -78.27 116.62 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -112.47 -34.84 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 194' ' ' VAL . 7.5 p -59.6 97.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.72 166.44 12.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 94.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.629 2.219 . . . . 0.0 112.325 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -84.58 164.57 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 166' ' ' VAL . 15.3 m -101.75 135.49 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.26 148.57 29.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 143.73 51.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.561 HG22 ' CG ' ' A' ' 164' ' ' MET . 42.1 pt -138.46 151.18 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.12 -163.35 21.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -121.99 171.12 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.45 163.99 29.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.544 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.93 139.19 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 135.09 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -105.23 156.62 17.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.17 144.04 26.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.17 -176.68 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -141.46 32.53 1.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -128.54 -167.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.562 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -83.98 125.8 32.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.71 2.3 27.23 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.82 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' HB3' ' A' ' 52' ' ' MET . 0.6 OUTLIER -71.6 148.75 46.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.783 0.325 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -121.45 112.52 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 8' ' ' ILE . 3.7 mp -115.97 130.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 tt -101.67 138.06 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.1 157.18 44.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.81 142.05 3.4 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.62 170.93 24.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -149.93 -177.5 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.797 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.96 169.27 14.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 t -63.81 -25.62 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.1 p 43.32 94.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.032 0.444 . . . . 0.0 111.628 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.84 123.88 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.94 153.12 63.64 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.45 2.1 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -148.65 31.43 0.8 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -72.2 -37.15 69.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.58 31.77 20.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -72.54 171.14 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.65 167.67 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -125.2 78.95 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 pt -105.75 31.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -116.39 89.51 3.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' HG ' ' H ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -91.6 -49.41 6.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.621 ' H ' ' HG ' ' A' ' 27' ' ' LEU . 1.6 p30 -96.66 138.87 33.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.27 81.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.62 115.47 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.41 148.01 51.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -74.3 -40.51 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -66.91 -57.71 6.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.03 -113.68 4.66 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 69.16 -66.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.08 34.52 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.39 110.04 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.8 t -95.68 -40.09 9.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 39' ' ' VAL . 15.9 t 60.46 31.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.99 31.5 4.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.49 97.87 9.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.36 106.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 t -110.39 23.01 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.85 140.61 50.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 pp -121.65 -178.02 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.31 152.3 20.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.86 145.07 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.911 HG22 ' HA ' ' A' ' 62' ' ' VAL . 72.9 p -140.23 159.89 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 3.9 m-85 -125.27 116.47 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -96.59 146.46 24.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.41 90.39 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.401 ' HB2' HD11 ' A' ' 8' ' ' ILE . 12.3 tpt -60.67 127.03 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -112.58 178.68 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -56.63 153.06 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.863 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 78.54 -61.78 0.35 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.706 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 162.68 39.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.635 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.814 ' CD1' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -88.87 169.84 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.716 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.92 119.98 0.75 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.668 HG22 ' HG ' ' A' ' 96' ' ' LEU . 25.1 t -106.14 111.86 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -104.19 134.73 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 94' ' ' LEU . 1.1 tt -114.47 138.09 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.747 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.911 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.2 t -99.0 133.12 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.05 128.15 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.26 179.97 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -81.37 144.12 53.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.69 -62.44 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.548 2.165 . . . . 0.0 112.349 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -104.05 -179.77 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.04 147.65 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 33.12 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -97.95 -59.75 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.6 t -127.68 104.34 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.22 164.87 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -74.57 137.77 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.037 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.21 42.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.13 144.85 4.65 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.529 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 59.93 104.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.66 166.03 31.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -41.56 4.31 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.517 2.144 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.4 -93.91 0.1 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 tt -127.22 114.07 17.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -86.62 117.82 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -116.6 -92.31 1.69 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.19 168.82 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.8 150.08 52.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.89 91.04 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.02 141.9 33.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.9 mp -107.62 -57.99 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -171.64 90.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -122.95 31.01 6.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.96 140.55 29.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.63 141.13 40.97 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.421 2.081 . . . . 0.0 112.241 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -134.65 135.73 42.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 116' ' ' VAL . 33.5 m -132.35 126.13 32.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 61' ' ' LEU . 4.2 mp -113.0 138.04 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -150.91 142.21 23.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.025 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.814 HD21 ' CD1' ' A' ' 57' ' ' TRP . 1.7 tt -112.92 119.71 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.486 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 1.1 pt20 -117.15 154.16 31.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.008 0.432 . . . . 0.0 111.148 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -115.86 144.54 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.815 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.36 97.11 6.9 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.46 -38.12 11.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.436 2.09 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -120.65 32.72 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -111.39 100.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.82 44.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.88 -170.73 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.575 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.08 19.19 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.418 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.1 m -70.02 -177.92 1.47 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.03 -57.3 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -83.94 137.98 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' CG ' ' HB3' ' A' ' 153' ' ' ASP . 4.1 pt20 -117.09 94.09 43.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.65 141.47 27.79 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -151.52 153.02 33.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.468 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -160.05 156.84 28.1 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.034 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . 175.25 -164.82 35.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.652 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -179.02 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.629 ' O ' HD13 ' A' ' 146' ' ' LEU . . . 177.83 -172.29 44.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 93' ' ' THR . 26.4 m -116.51 150.77 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.832 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 20.7 t-20 -131.33 126.09 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.447 ' CE1' ' CH2' ' A' ' 144' ' ' TRP . 69.6 t80 -143.0 112.06 6.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.76 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.4 t -118.63 137.4 53.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.4 t -118.84 106.06 12.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.09 156.66 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.45 132.86 35.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.91 -39.67 94.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -142.99 111.09 6.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -84.35 -44.95 13.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.05 90.74 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -77.76 121.53 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.071 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.8 -39.29 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.659 ' HB3' ' HB2' ' A' ' 132' ' ' ALA . 39.0 t30 -140.07 119.38 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -69.76 -30.26 67.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -21.77 46.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.659 ' HB2' ' HB3' ' A' ' 129' ' ' ASN . . . -53.75 -41.97 67.69 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.817 0.341 . . . . 0.0 111.356 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -94.4 -32.59 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.05 41.96 96.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -93.53 96.86 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -35.92 25.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.0 m -102.46 133.67 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.1 mmt -64.77 166.42 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -106.96 177.41 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.98 136.6 54.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -88.37 92.4 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -143.59 84.25 1.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.0 m -145.81 90.97 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' TRP . . . . . 0.447 ' CH2' ' CE1' ' A' ' 118' ' ' TYR . 1.8 m-90 -106.95 127.29 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.741 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -120.74 171.57 14.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.537 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -97.54 126.55 42.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.832 ' HB2' ' HB2' ' A' ' 117' ' ' ASN . . . -109.34 162.99 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 168' ' ' TYR . . . -156.87 170.28 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.574 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.629 ' HB2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -156.09 132.86 10.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.465 HD23 ' HA3' ' A' ' 112' ' ' GLY . 1.9 mt -150.74 127.48 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 171.87 -144.93 8.38 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.608 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -160.94 156.92 25.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.402 ' HB3' ' CG ' ' A' ' 109' ' ' GLN . 10.1 t70 -109.96 114.61 28.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.446 ' O ' ' CD2' ' A' ' 154' ' ' TYR . 29.1 p90 -105.53 94.66 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.583 ' HB3' HD23 ' A' ' 161' ' ' LEU . 7.3 ptt? -77.23 147.28 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 11.0 mp -89.85 -21.73 22.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.581 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 4.7 m120 68.24 5.86 4.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -48.65 8.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.11 0.481 . . . . 0.0 110.477 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.66 -33.86 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.42 -172.22 4.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.828 0.347 . . . . 0.0 111.352 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 155' ' ' MET . 3.8 mp -116.0 163.47 15.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.402 ' CE1' HD11 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -118.3 130.77 56.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.915 0.388 . . . . 0.0 111.177 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.73 136.97 49.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.65 127.8 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.49 169.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 166' ' ' VAL . 33.6 m -96.89 120.72 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.97 112.61 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.406 ' HB2' ' N ' ' A' ' 148' ' ' GLY . 26.0 m-85 -77.9 111.65 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 44.8 mmm -68.84 162.67 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.42 166.91 13.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.34 102.91 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.25 119.8 32.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.9 t -115.92 139.08 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -173.79 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -109.39 -62.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.03 96.6 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.5 mm -74.95 90.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -105.0 137.4 42.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 166.61 93.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.51 128.6 17.47 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.58 2.187 . . . . 0.0 112.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 23.5 t -144.47 144.85 31.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -140.03 -62.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 89.5 mt 60.63 40.58 16.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 64.1 -121.79 23.96 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.4 m -116.8 170.9 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -77.8 -177.71 5.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -150.28 128.61 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 188' ' ' THR . 4.6 t -126.43 99.95 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.76 -49.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.43 141.02 18.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.31 141.81 45.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.89 129.75 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.087 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -114.8 137.66 51.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 15.6 m -112.85 178.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.2 89.29 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.49 166.27 26.26 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.537 2.158 . . . . 0.0 112.394 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' TRP . . . . . 0.424 ' CZ3' HG11 ' A' ' 166' ' ' VAL . 0.0 OUTLIER 60.82 99.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.15 132.44 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.57 143.43 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tpt -116.95 133.67 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.402 HD11 ' CE1' ' A' ' 162' ' ' PHE . 11.7 tt -124.47 127.61 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.09 -158.86 8.14 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -122.02 167.7 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.82 167.29 30.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.635 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.402 ' HA ' HD13 ' A' ' 161' ' ' LEU . 4.6 m-85 -147.02 134.25 20.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -88.07 133.52 33.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.11 152.86 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.14 133.04 54.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.93 146.15 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 34.8 m170 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.93 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.339 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -147.74 63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 174.7 9.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.04 133.93 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.56 5.25 48.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.837 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.65 128.78 38.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.01 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -101.2 104.94 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.3 mm -119.58 124.02 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -94.99 125.04 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -108.81 161.17 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 140.36 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.234 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.6 179.29 35.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.688 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -96.75 130.48 43.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.43 -174.13 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m 63.61 141.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 17' ' ' ASP . 11.4 p -108.74 159.34 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.026 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' N ' HG22 ' A' ' 16' ' ' VAL . 6.0 t0 -56.8 130.35 78.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.26 167.43 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.412 2.075 . . . . 0.0 112.356 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 -64.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.32 -63.9 1.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 m 59.7 39.45 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.82 87.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.6 p -93.86 -54.86 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.05 157.65 18.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.483 HD12 ' O ' ' A' ' 25' ' ' ILE . 2.3 pp -142.18 31.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' C ' HD12 ' A' ' 27' ' ' LEU . 2.7 tttp -143.45 31.65 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' C ' ' A' ' 26' ' ' LYS . 9.4 mp -127.95 100.35 5.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -69.38 106.48 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.3 -145.9 11.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.6 -63.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -162.77 82.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -102.01 118.58 37.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.44 100.18 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.03 122.82 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER 61.03 169.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' H ' HG22 ' A' ' 35' ' ' THR . 4.2 mtmt -99.0 31.97 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -169.44 133.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -109.89 88.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 39' ' ' VAL . 14.3 t -143.27 35.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -79.33 135.24 36.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.7 m -109.97 -31.24 7.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.92 51.71 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 t -79.71 -31.39 41.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -63.86 176.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -98.22 171.63 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.46 146.0 18.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -118.48 144.9 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 10' ' ' ARG . 97.6 m -145.57 130.08 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -90.67 114.74 27.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.439 HG23 ' HG3' ' A' ' 60' ' ' GLU . 15.7 m -100.21 145.88 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.01 104.09 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.41 135.14 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -127.05 159.37 34.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.66 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.35 161.85 8.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 4.2 m-20 79.71 -58.94 0.36 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 159.81 39.15 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -101.78 140.93 35.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.159 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -148.5 120.01 1.14 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.481 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.47 117.29 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.8 mt-10 -125.26 118.65 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 94' ' ' LEU . 2.4 mt -115.05 119.71 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.441 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 95' ' ' LEU . 24.0 t -90.82 138.3 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.394 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 -174.93 3.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.88 148.36 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -129.04 140.39 38.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.24 -2.55 12.76 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.519 2.146 . . . . 0.0 112.722 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.6 t80 63.63 77.27 0.33 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -155.55 169.62 23.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -130.36 123.98 31.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -171.44 139.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.4 m -153.23 126.3 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.069 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.05 175.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.75 176.89 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.02 -42.57 5.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.829 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.22 179.79 30.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.78 89.2 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.792 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -87.9 151.1 22.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.605 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.22 82.88 0.81 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.628 2.219 . . . . 0.0 112.282 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 155.9 -27.99 0.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -62.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -84.35 79.57 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -99.61 -115.34 3.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mttt 60.89 -174.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 84' ' ' LEU . 4.1 mm? -106.11 -47.83 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.2 -53.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -140.31 151.41 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 87' ' ' ILE . 0.9 OUTLIER -131.73 113.3 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -168.6 81.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -113.42 80.75 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.55 121.25 1.36 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 119' ' ' THR . 57.3 Cg_endo -71.11 172.69 13.44 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.385 2.057 . . . . 0.0 112.293 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -148.16 108.97 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 117' ' ' ASN . 21.3 m -116.41 127.92 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.546 HD12 HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -108.67 145.25 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.634 ' CD1' HG23 ' A' ' 62' ' ' VAL . 3.2 mp -142.21 121.2 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 1.9 mt -91.95 136.09 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.437 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.522 ' NE2' ' CE1' ' A' ' 111' ' ' TYR . 2.3 mm100 -116.88 140.73 49.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.95 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -128.73 124.57 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 12.8 p90 -134.37 84.78 39.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.04 -51.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 0.0 112.643 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -123.41 -27.24 4.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.322 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.55 -113.52 4.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.77 44.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.253 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.595 HG21 ' HB2' ' A' ' 108' ' ' PHE . 20.4 p -147.33 -170.7 3.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.283 . . . . 0.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -83.63 19.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.552 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 75.61 9.86 3.51 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.536 0.208 . . . . 0.0 111.304 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.48 -32.65 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.604 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.595 ' HB2' HG21 ' A' ' 104' ' ' THR . 32.6 m-85 -99.37 153.53 18.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.08 80.4 0.51 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 108' ' ' PHE . 73.2 Cg_endo -73.95 156.1 47.88 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.623 2.215 . . . . 0.0 112.424 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.522 ' CE1' ' NE2' ' A' ' 97' ' ' GLN . 5.8 p90 -163.29 146.19 10.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.43 139.75 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.305 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 96' ' ' LEU . . . -176.35 -164.65 30.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.715 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 mp -147.73 173.78 12.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 111.064 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -165.66 -164.83 21.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 118' ' ' TYR . 20.8 t -121.18 139.53 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.436 ' CB ' HG23 ' A' ' 93' ' ' THR . 55.8 t-20 -121.82 113.98 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.505 ' CE2' HG11 ' A' ' 116' ' ' VAL . 14.0 m-85 -126.64 142.11 51.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.571 HG23 ' HB3' ' A' ' 91' ' ' PRO . 7.4 m -132.27 123.26 26.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.45 122.94 47.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.03 165.91 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.75 166.39 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.12 33.5 21.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.59 -31.11 24.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.15 -40.96 26.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.0 mt -143.41 122.03 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -99.74 121.82 41.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.5 t -114.74 -178.17 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -60.83 114.63 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.18 34.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -64.94 -37.33 87.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.99 -32.68 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.06 -31.45 72.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.19 33.45 5.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.39 107.09 18.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -30.3 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.6 t -93.87 150.0 20.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -164.88 35.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.41 66.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -111.86 32.08 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.51 160.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -140.73 30.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.6 m -163.8 127.98 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 5.0 p90 -142.89 127.84 18.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.451 ' CA ' HD13 ' A' ' 171' ' ' ILE . . . -179.23 -162.94 29.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.43 134.63 45.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.59 170.52 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.337 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -140.37 151.91 22.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.446 ' CD ' HD22 ' A' ' 95' ' ' LEU . 2.3 tt0 -146.29 123.41 11.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.518 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 0.7 OUTLIER -149.82 125.88 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.775 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -172.33 -147.85 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 152' ' ' PHE . 0.7 OUTLIER -145.68 148.78 33.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.42 134.83 47.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.998 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -128.22 85.77 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.676 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.527 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -80.11 153.06 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.306 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.3 -27.88 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 74.04 4.35 4.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.29 -48.09 9.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 0.0 110.6 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.36 -35.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.757 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.42 -172.93 3.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.584 HD12 ' OD1' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -116.98 169.15 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -110.72 144.52 39.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 161' ' ' LEU . 2.9 m120 -140.72 114.13 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.712 ' CB ' HG22 ' A' ' 201' ' ' ILE . 4.8 ptm -133.75 145.8 50.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.518 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -169.05 178.58 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 198' ' ' VAL . 21.4 t -96.87 130.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -106.89 136.65 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.49 137.44 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.497 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -148.65 105.54 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 111.071 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.07 105.42 7.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.451 HD13 ' CA ' ' A' ' 145' ' ' GLY . 5.6 tp -76.86 135.39 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.61 100.86 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.98 149.72 43.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.32 106.25 18.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -168.11 -46.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 177' ' ' ILE . 37.9 t -62.01 -54.43 41.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 176' ' ' SER . 5.8 tt 43.61 37.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.573 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.74 114.92 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -142.45 -87.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.63 62.51 3.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.594 2.196 . . . . 0.0 112.293 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.47 89.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -119.16 31.53 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.3 mp 60.83 90.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -136.47 -44.57 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 186' ' ' ASN . 31.3 m -59.93 -44.79 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 111.178 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.476 ' N ' HG23 ' A' ' 185' ' ' VAL . 12.1 p-10 -90.05 -175.25 4.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -155.34 -69.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 188' ' ' THR . 12.7 m -142.4 40.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -30.7 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.26 127.3 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.88 120.12 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.96 134.43 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -90.87 145.55 24.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.36 144.79 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.7 137.0 24.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.71 110.61 3.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.521 2.148 . . . . 0.0 112.377 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 22.5 m0 60.01 174.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t -135.79 121.35 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -125.52 142.47 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 6.5 ttp -125.86 149.24 48.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.712 HG22 ' CB ' ' A' ' 164' ' ' MET . 23.6 pt -127.49 160.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -169.12 -166.1 27.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.413 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -126.26 175.96 7.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -163.3 174.73 39.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.667 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -134.93 127.53 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -109.19 141.01 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -71.11 110.33 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 11.0 tp -91.08 135.31 33.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -129.15 136.98 50.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.809 0.338 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -133.93 149.16 51.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 169.62 24.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.56 134.25 46.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.14 5.06 60.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.764 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.41 124.19 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -85.04 104.93 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -112.62 129.52 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.001 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 205' ' ' TYR . 12.6 pt -101.1 116.99 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' NH1' HG21 ' A' ' 50' ' ' THR . 0.3 OUTLIER -109.53 153.42 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.99 -161.99 9.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.03 164.73 15.62 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -95.3 172.71 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 44' ' ' GLN . . . -131.63 31.27 4.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -65.16 167.15 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 17' ' ' ASP . 21.5 t -134.97 157.82 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' N ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER 63.45 124.99 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.56 141.38 63.15 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.372 2.048 . . . . 0.0 112.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -31.2 33.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.7 -42.88 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -118.12 125.77 50.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.9 t -122.74 -47.75 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -143.78 -47.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -60.75 118.7 6.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.52 -28.72 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -158.42 128.46 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.55 140.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.75 167.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.33 -114.93 1.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.544 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.4 124.39 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.192 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -139.01 -47.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.62 -57.7 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.59 131.69 36.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.27 117.14 0.47 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -128.12 -52.46 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 171.5 13.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.81 154.72 22.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -119.79 103.27 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 m -95.78 -32.91 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -170.29 47.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -73.89 172.28 11.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -163.71 77.0 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 44' ' ' GLN . 9.6 t -67.48 -46.93 71.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 17.7 tt0 -136.94 124.96 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.9 165.1 11.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.12 147.63 19.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 1.029 HD23 HG22 ' A' ' 65' ' ' THR . 2.7 pp -133.65 141.48 47.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.598 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' ' 62' ' ' VAL . 1.7 p -148.68 139.26 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.93 167.1 14.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.443 HG21 ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -154.33 113.53 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 111.435 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.538 ' HB2' HG12 ' A' ' 59' ' ' VAL . 4.9 m-85 -93.27 85.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.079 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.7 ttm -62.3 121.31 12.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.634 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.457 ' HB3' ' H ' ' A' ' 57' ' ' TRP . 3.0 t80 -98.82 127.63 44.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.26 94.78 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' ALA . 4.6 m-20 28.85 60.5 0.13 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.14 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.74 -36.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.487 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.457 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -157.54 -175.66 5.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.231 0.539 . . . . 0.0 111.72 -179.558 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.74 119.61 0.53 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.948 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 95' ' ' LEU . 12.4 p -107.2 141.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.262 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 50' ' ' THR . 0.5 OUTLIER -130.66 141.01 50.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.007 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.49 121.56 38.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.534 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.3 t -90.93 144.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.394 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.97 131.5 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.05 153.08 34.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 1.029 HG22 HD23 ' A' ' 47' ' ' LEU . 32.2 p -75.27 148.95 84.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.994 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.75 -168.56 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.654 2.236 . . . . 0.0 112.327 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.61 112.34 24.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -83.71 -173.25 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 60.47 32.63 20.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -103.89 -61.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.0 m -105.3 150.11 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -113.68 -47.53 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.57 105.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.19 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.74 157.54 47.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.33 177.71 8.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.745 0.307 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.77 85.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.26 99.94 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.634 2.223 . . . . 0.0 112.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.7 106.58 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.71 132.92 42.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.24 85.63 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.47 166.09 34.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -165.4 -44.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.5 108.1 11.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.23 -69.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -101.52 123.26 45.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.7 pt -109.08 95.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.29 -45.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.96 147.08 16.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.063 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp 62.06 145.97 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.48 167.6 1.32 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.508 2.139 . . . . 0.0 112.342 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 118' ' ' TYR . . . -152.89 109.93 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -108.8 126.62 53.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -128.48 124.88 37.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.425 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -145.65 137.38 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.391 . . . . 0.0 111.387 -179.632 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.407 HD12 ' CG2' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -108.54 119.58 39.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.337 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.514 ' HG3' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -102.66 149.34 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.565 -179.452 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 13.9 t80 -109.26 148.68 30.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.643 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 98' ' ' TYR . 2.7 m-85 -105.3 84.47 1.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 -47.87 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.51 29.48 7.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.18 111.83 3.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.332 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.78 44.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.214 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 -170.66 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.72 19.16 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.546 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -74.04 143.63 45.41 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.11 -56.92 7.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -71.51 142.34 50.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -114.92 95.36 41.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.46 148.6 38.16 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.509 2.139 . . . . 0.0 112.377 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 2.1 p90 -164.02 144.56 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.76 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.14 141.97 10.38 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.6 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -170.79 -164.61 26.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.859 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -142.87 160.58 40.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.834 0.35 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.541 ' N ' HD12 ' A' ' 95' ' ' LEU . . . -159.97 -173.75 28.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.63 139.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -122.6 113.85 19.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 92' ' ' ALA . 6.8 p90 -137.93 135.61 36.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.0 t -135.07 149.38 50.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 p -114.44 162.17 17.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -134.75 143.58 47.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.81 -179.22 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.61 160.86 29.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -137.59 -47.91 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.3 -29.26 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 69.99 -63.82 0.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.88 159.72 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.141 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.5 m -58.75 148.5 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -161.59 31.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -44.81 75.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -31.17 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.67 72.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -88.01 -33.81 18.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.89 28.91 69.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.17 131.48 34.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.8 p -79.14 -33.41 44.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.18 150.75 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.5 -44.36 2.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 92.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.85 46.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 62.42 118.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -132.15 77.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.2 p -161.84 171.05 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -118.04 147.92 42.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.693 ' HA2' HD13 ' A' ' 171' ' ' ILE . . . -137.31 -174.86 13.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.683 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.54 137.06 35.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 169' ' ' MET . . . -122.87 134.26 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.99 149.18 17.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.548 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -131.47 138.44 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.73 124.09 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 174.95 -154.75 19.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.661 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -153.89 158.68 41.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.01 139.82 34.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 2.3 t80 -129.1 85.62 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 111.25 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.455 ' HB3' ' HB3' ' A' ' 161' ' ' LEU . 1.2 ptt? -88.06 147.87 24.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.886 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.01 -31.56 13.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.518 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 44.1 t30 76.54 -3.1 2.59 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -85.48 -48.03 9.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -129.9 -33.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.453 ' C ' HD12 ' A' ' 161' ' ' LEU . . . -166.39 -172.45 2.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.017 0.437 . . . . 0.0 111.704 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 205' ' ' TYR . 3.5 mp -116.54 156.43 26.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.3 OUTLIER -127.79 150.24 49.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.832 0.349 . . . . 0.0 111.148 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -136.14 146.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.54 ' HG3' HG22 ' A' ' 201' ' ' ILE . 0.0 OUTLIER -152.46 130.77 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.09 177.05 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 198' ' ' VAL . 21.7 t -96.98 141.2 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -120.26 127.85 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.8 103.28 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 13.8 ptt? -115.52 95.93 5.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -131.13 124.84 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.693 HD13 ' HA2' ' A' ' 145' ' ' GLY . 7.7 tp -76.94 140.0 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.42 103.03 15.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 17.2 m -100.98 140.83 34.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.86 -178.57 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -159.25 158.66 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.4 m -99.14 -35.25 10.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.5 tt -78.62 133.27 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.024 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -68.53 149.58 49.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -125.35 92.12 0.41 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.62 164.26 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.613 2.208 . . . . 0.0 112.358 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 16.3 m -106.56 148.97 27.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -107.25 152.57 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.63 164.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -171.38 35.99 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.59 128.29 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -63.48 179.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm 60.48 86.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 26.6 m -144.03 142.99 30.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -156.71 158.24 36.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t 59.97 88.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -98.08 -61.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.544 HG12 HG13 ' A' ' 194' ' ' VAL . 30.5 t -111.19 -68.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.56 82.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.544 HG13 HG12 ' A' ' 192' ' ' VAL . 16.5 m -137.03 35.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 61.19 88.64 0.12 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.48 -28.7 26.28 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.476 2.117 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -65.72 138.0 57.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t -141.92 118.13 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 199' ' ' TYR . 3.0 p90 -138.45 146.23 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.3 tpt -135.34 128.79 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.54 HG22 ' HG3' ' A' ' 164' ' ' MET . 4.2 pt -107.57 126.11 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -134.01 176.37 19.81 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.553 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -134.8 139.11 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.32 -164.07 9.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.564 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.865 ' HA ' HD13 ' A' ' 161' ' ' LEU . 26.4 t80 -152.66 145.73 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 129.15 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.19 133.07 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.69 146.47 33.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.19 -29.67 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.948 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -123.66 -65.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 171.3 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.671 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -79.74 143.69 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.15 -8.07 44.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.88 152.49 19.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.697 0.284 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 207' ' ' PHE . 12.2 p90 -125.74 130.04 50.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.508 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.0 mp -136.17 140.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.62 137.27 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -136.26 146.42 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.4 138.08 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.27 -170.98 25.56 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -80.02 123.87 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.92 102.95 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.5 142.81 29.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 m -130.22 74.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -173.3 147.17 1.42 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.19 144.26 48.57 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.47 2.113 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.71 30.49 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -89.63 -40.87 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.06 122.97 46.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.22 -50.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 p -69.36 96.87 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -134.26 129.96 36.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.7 OUTLIER -122.7 45.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 -47.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.2 89.07 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.87 -47.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.08 -178.19 22.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.538 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.79 87.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.12 -53.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -89.1 136.4 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -74.15 164.36 26.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.45 -163.52 12.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.563 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -146.12 142.46 28.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.58 96.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.31 91.93 3.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.585 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.0 p -103.16 19.96 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 38' ' ' THR . 3.6 m -160.71 29.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.78 30.66 6.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.01 122.15 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.16 93.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.1 p -98.21 23.14 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -83.4 126.81 33.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.799 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.25 134.58 51.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.05 137.49 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.408 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.605 HD22 HG21 ' A' ' 65' ' ' THR . 0.9 OUTLIER -125.88 146.34 49.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.739 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 t -155.4 149.85 26.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -115.92 143.01 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.649 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.99 127.87 45.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.645 ' HB2' HG22 ' A' ' 59' ' ' VAL . 5.3 m-85 -111.39 99.33 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.82 129.24 40.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.372 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -110.62 179.24 4.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.973 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.671 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -55.22 149.51 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.054 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 77.61 -62.15 0.38 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.603 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER 164.93 38.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.47 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.446 ' CD1' ' HB3' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -87.66 -174.03 4.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.907 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 172.21 130.22 1.22 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 51' ' ' TYR . 35.7 m -101.74 111.62 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.541 ' C ' HD22 ' A' ' 61' ' ' LEU . 5.5 tt0 -96.23 122.7 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.206 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD22 ' C ' ' A' ' 60' ' ' GLU . 3.3 mm? -111.89 119.97 40.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.468 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.72 136.51 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.28 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.95 118.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.18 141.13 43.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.605 HG21 HD22 ' A' ' 47' ' ' LEU . 74.7 p -108.26 153.43 41.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.85 -175.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.536 2.158 . . . . 0.0 112.33 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -62.63 -56.32 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -163.11 161.74 25.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -71.93 126.14 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 60.59 175.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 72' ' ' ASP . 22.7 m -131.52 -45.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 71' ' ' VAL . 1.3 m-20 -145.04 -69.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.529 HG12 ' O ' ' A' ' 73' ' ' VAL . 11.2 t 73.81 4.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.715 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.18 27.91 4.46 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.734 0.302 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.68 ' C ' HD22 ' A' ' 76' ' ' LEU . . . -172.61 -171.02 37.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.56 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 75' ' ' GLY . 3.9 mm? -123.06 107.91 12.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.31 144.28 12.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.95 61.21 5.58 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.534 2.156 . . . . 0.0 112.218 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.81 29.24 6.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.99 -47.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -177.5 2.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.7 65.32 0.55 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.418 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.51 148.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 60.54 107.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.24 -63.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.1 152.11 38.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.791 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.5 mm 63.99 129.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -133.01 36.42 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.561 ' O ' HD12 ' A' ' 90' ' ' LEU . 4.0 tt0 -127.86 158.63 37.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -156.75 -66.58 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.483 ' HA ' HG23 ' A' ' 119' ' ' THR . 59.9 Cg_endo -72.23 125.96 11.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.37 2.046 . . . . 0.0 112.184 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.63 111.65 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.606 HG22 HD11 ' A' ' 95' ' ' LEU . 2.9 m -126.82 137.59 53.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -132.01 119.52 21.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 93' ' ' THR . 1.5 mp -135.11 150.03 50.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.93 111.17 23.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.69 155.56 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.446 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 5.8 p90 -146.84 150.16 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 88.4 m-85 -93.48 110.08 44.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.41 -52.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.572 2.182 . . . . 0.0 112.303 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.72 29.19 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.9 104.9 2.37 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.51 43.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -140.14 -170.45 2.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.58 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 104' ' ' THR . 39.3 m-20 -83.39 19.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.396 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.69 154.8 40.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.7 -33.61 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -94.94 143.18 26.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.33 89.92 6.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.83 134.19 13.2 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.588 2.192 . . . . 0.0 112.284 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 23.1 p90 -146.17 159.26 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.117 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.57 ' HA2' HD22 ' A' ' 150' ' ' LEU . . . -137.99 136.67 8.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.246 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.11 170.74 24.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.825 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.2 132.92 12.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -158.14 -164.99 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.709 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 146' ' ' LEU . 21.5 t -111.02 146.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 111.162 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.474 ' HA ' HG23 ' A' ' 93' ' ' THR . 0.8 OUTLIER -124.18 121.51 35.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -143.04 138.56 30.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.483 HG23 ' HA ' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -118.39 102.6 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.2 t -111.45 162.09 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -151.51 139.51 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -73.58 133.51 43.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.13 -44.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -86.88 166.73 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.99 -40.72 5.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 127' ' ' ALA . 2.9 tt -119.18 160.84 21.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.521 ' N ' HD23 ' A' ' 126' ' ' LEU . . . -59.2 146.35 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.8 t -118.13 109.5 16.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -146.62 128.02 14.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -80.96 -31.75 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -71.4 -35.0 70.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.86 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.47 -31.09 20.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.33 29.48 4.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.55 -172.0 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.0 p -121.29 17.1 11.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.93 169.23 10.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.859 0.362 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 56.1 mmm -142.81 -175.95 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 160.2 27.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.52 ' H ' HD23 ' A' ' 140' ' ' LEU . 0.4 OUTLIER -65.82 176.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -178.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.9 t0 59.84 97.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.9 p -128.97 165.45 21.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -103.71 175.11 5.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.728 ' HA3' HD13 ' A' ' 171' ' ' ILE . . . 173.49 -162.92 34.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.605 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 116' ' ' VAL . 0.4 OUTLIER -56.03 148.8 16.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 111.1 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -142.52 -177.55 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -150.95 151.09 23.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -132.37 129.36 39.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.718 0.294 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.57 HD22 ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -146.83 123.48 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.86 -145.1 5.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.592 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -158.11 177.98 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -133.07 136.24 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.677 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -107.47 84.98 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 0.0 111.253 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.519 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 23.0 mtm -69.95 121.75 17.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.979 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.67 -33.8 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.2 t30 77.26 -1.44 2.76 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.51 -48.11 9.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.99 0.424 . . . . 0.0 110.522 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 -34.43 0.55 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -163.95 -172.99 3.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.049 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.0 pp -117.06 176.3 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -109.91 150.02 29.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.883 0.373 . . . . 0.0 111.088 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -136.56 107.5 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.516 ' HG3' HG22 ' A' ' 201' ' ' ILE . 4.3 tmm? -136.97 131.09 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.84 171.1 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 198' ' ' VAL . 29.5 t -97.07 134.67 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -117.72 112.79 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.54 99.72 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -129.26 91.4 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.728 HD13 ' HA3' ' A' ' 145' ' ' GLY . 8.6 tp -76.87 122.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -142.99 112.5 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 43.4 p -145.55 115.92 7.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -171.07 -179.51 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -153.72 78.12 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 27.9 m -86.59 153.75 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.1 pt -132.75 116.85 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -68.98 113.08 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 174.21 58.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.73 -172.21 0.65 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.608 2.205 . . . . 0.0 112.391 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 4.2 m -101.65 31.21 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -167.68 155.95 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.19 167.55 10.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 167.43 -113.6 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 185' ' ' VAL . 16.6 t 60.79 32.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.01 -63.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 118.92 27.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 41.4 p -101.52 -178.69 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 138.16 53.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.48 142.71 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -153.4 142.58 21.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 193' ' ' ASP . 11.1 p -169.08 158.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ASP . . . . . 0.486 ' N ' HG22 ' A' ' 192' ' ' VAL . 2.7 m-20 -60.19 -179.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 195' ' ' ASP . 11.0 p -121.15 -42.25 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 194' ' ' VAL . 5.2 t0 -140.94 81.56 16.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.43 61.38 4.26 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.529 2.153 . . . . 0.0 112.314 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -178.32 145.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t -146.07 158.61 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.484 ' N ' HG12 ' A' ' 198' ' ' VAL . 10.4 p90 -142.99 149.64 38.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 15.3 ttp -128.34 128.03 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 164' ' ' MET . 1.2 pt -122.79 141.21 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -159.64 -162.49 12.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.02 175.35 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.33 154.64 25.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -155.22 121.19 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.508 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -99.41 138.16 36.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 207' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 2.2 t80 -99.38 115.19 28.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.64 140.57 36.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -96.98 164.91 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 26.0 t60 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.934 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mtm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.799 0.333 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.07 125.13 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -134.53 -176.08 4.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.21 119.44 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.69 5.09 27.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.809 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.41 126.62 28.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.42 ' O ' HD13 ' A' ' 8' ' ' ILE . 14.0 m-85 -81.87 104.98 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.564 HD12 ' CB ' ' A' ' 206' ' ' LYS . 13.5 mm -121.06 122.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.524 HG22 ' CE1' ' A' ' 49' ' ' PHE . 20.3 pt -95.03 129.44 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.43 162.95 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.78 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 137.94 3.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.96 178.17 27.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -84.7 162.03 19.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.5 173.11 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.3 p -67.83 161.27 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.87 123.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -136.02 87.89 23.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.37 147.56 65.62 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.574 2.183 . . . . 0.0 112.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -176.09 93.07 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -79.29 -50.91 10.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -70.7 158.34 36.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -127.41 147.97 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 m -99.72 31.45 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.38 -39.36 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.403 HG23 ' HG3' ' A' ' 26' ' ' LYS . 1.9 tp -110.6 -32.19 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG3' HG23 ' A' ' 25' ' ' ILE . 16.2 mtmt -113.34 172.58 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -112.16 -48.61 3.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.43 -179.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.33 168.43 35.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.88 72.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -124.79 100.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 63.73 136.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -148.83 31.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.8 -92.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.24 98.38 9.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.59 86.04 2.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.61 84.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.9 t -75.92 -179.37 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.9 p -157.91 65.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.08 92.01 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.6 t 66.0 -73.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -150.79 167.3 27.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.7 p -115.29 -37.89 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.92 138.14 32.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.92 -177.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -122.92 135.56 10.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.608 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mt -119.16 141.51 48.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.641 0.258 . . . . 0.0 110.506 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 62' ' ' VAL . 5.3 p -143.2 135.77 27.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 111.451 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -96.77 118.15 32.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.097 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.726 HG23 ' HB2' ' A' ' 60' ' ' GLU . 1.1 m -112.05 134.01 53.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.764 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -109.04 90.55 3.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.955 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.94 123.68 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.834 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.97 134.54 34.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.846 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.0 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ALA . 12.7 m-20 28.33 60.82 0.12 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.216 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -166.92 -34.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.735 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -152.04 -176.68 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.24 0.543 . . . . 0.0 111.966 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.08 119.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 m -102.01 139.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.726 ' HB2' HG23 ' A' ' 50' ' ' THR . 33.2 tt0 -132.41 150.03 52.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.616 HD12 ' CD2' ' A' ' 94' ' ' LEU . 9.0 tt -133.77 125.01 27.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.46 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 48' ' ' THR . 14.1 t -90.89 136.37 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.364 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 131.68 2.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.43 151.53 38.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.402 HG23 ' HD2' ' A' ' 66' ' ' PRO . 30.5 m -115.07 139.16 23.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 65' ' ' THR . 54.9 Cg_endo -69.6 117.22 4.94 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.445 2.096 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -131.25 30.06 4.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -137.11 -69.58 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -102.91 170.48 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 60.51 31.22 20.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -165.85 144.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -139.15 -60.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 74' ' ' LYS . 15.5 m -149.69 -45.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.249 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' HG23 ' A' ' 73' ' ' VAL . 6.6 mmtp -52.07 -30.21 24.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.92 129.17 32.38 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.49 165.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.35 -149.37 18.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.21 142.29 49.95 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.555 2.17 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.5 -67.31 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 tp 63.78 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.755 0.312 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.76 141.38 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.71 82.35 0.81 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.59 ' C ' HD22 ' A' ' 84' ' ' LEU . 31.2 mttt -114.89 128.4 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.315 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' C ' ' A' ' 83' ' ' LYS . 4.6 mm? -124.93 31.79 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.73 177.73 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.753 ' HB3' HD12 ' A' ' 87' ' ' ILE . 6.7 t0 -151.86 -46.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 86' ' ' ASP . 3.7 mp -127.73 38.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -98.55 30.85 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.78 172.11 13.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 90' ' ' LEU . 26.9 mt -145.24 158.25 51.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.38 162.16 34.84 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.556 2.171 . . . . 0.0 112.177 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.13 154.59 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 116' ' ' VAL . 16.8 m -127.79 127.42 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.616 ' CD2' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.12 131.92 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.34 158.2 43.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.35 145.38 48.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.27 143.63 50.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 86.7 t80 -100.27 150.1 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.95 89.04 45.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.186 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.48 -52.25 2.06 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.529 2.153 . . . . 0.0 112.184 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -25.92 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.8 116.8 3.53 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.73 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.62 44.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.132 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -170.58 3.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 110.615 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -84.56 19.22 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.464 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.25 -175.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.34 30.63 6.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CD2' ' HD3' ' A' ' 110' ' ' PRO . 41.2 p90 -173.94 143.6 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.62 90.2 5.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HD3' ' CD2' ' A' ' 108' ' ' PHE . 40.0 Cg_endo -67.16 131.87 26.31 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.56 2.174 . . . . 0.0 112.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CE1' ' OD1' ' A' ' 153' ' ' ASP . 7.2 p90 -148.25 140.91 24.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.65 132.51 4.45 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.612 ' C ' HD22 ' A' ' 114' ' ' LEU . . . -171.65 -164.82 27.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.557 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.612 HD22 ' C ' ' A' ' 113' ' ' GLY . 3.8 mm? -123.64 177.15 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -151.95 172.07 31.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.407 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 145' ' ' GLY . 21.5 t -141.73 135.83 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.425 ' HA ' HG23 ' A' ' 93' ' ' THR . 1.6 m-20 -108.03 130.85 55.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -132.93 124.56 28.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.09 141.62 44.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 36.9 p -100.41 122.33 42.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -119.08 149.93 40.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -64.45 159.3 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -104.14 147.09 27.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -137.15 139.82 41.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -107.4 -36.27 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.04 -178.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.02 142.33 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m -62.48 137.53 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.869 ' HB3' ' HB3' ' A' ' 132' ' ' ALA . 60.1 m-20 -104.29 101.86 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.92 -58.36 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -86.48 -35.41 19.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.869 ' HB3' ' HB3' ' A' ' 129' ' ' ASN . . . -59.89 -34.2 72.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.68 -32.57 7.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.9 41.76 7.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.79 155.62 38.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.786 0.327 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -98.93 -43.24 6.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.8 t -105.96 148.63 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.3 mtm -83.9 -59.91 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.63 99.62 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' A' ' 143' ' ' SER . 1.0 OUTLIER -166.46 132.52 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -146.27 -46.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.63 75.68 1.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.64 ' HB3' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -85.92 135.84 33.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -146.38 148.93 32.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.705 ' O ' HG13 ' A' ' 116' ' ' VAL . . . -138.34 -175.95 14.25 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.611 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.77 126.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.12 168.7 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.403 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -124.94 154.92 18.38 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.596 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -147.03 121.23 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.44 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 0.2 OUTLIER -154.76 126.74 7.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.025 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . 169.5 -144.96 8.96 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.568 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -148.88 163.29 37.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.402 ' OD1' ' CE1' ' A' ' 111' ' ' TYR . 20.7 m-20 -114.45 114.04 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -93.96 85.73 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.535 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.2 ptp -68.0 153.04 44.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.156 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.79 -33.67 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.8 t30 76.35 1.61 3.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.711 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.51 -48.02 9.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -143.11 -35.65 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.798 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.33 -172.88 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.805 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.8 OUTLIER -116.85 174.31 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -116.21 149.21 39.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.939 0.399 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.77 123.06 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.42 124.54 21.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.578 ' HB3' ' CE ' ' A' ' 200' ' ' MET . . . -163.7 177.68 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 150' ' ' LEU . 17.1 m -98.75 133.8 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.828 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.484 ' O ' HG21 ' A' ' 198' ' ' VAL . 0.0 OUTLIER -108.04 109.13 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.403 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 10.7 t80 -77.97 137.52 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.526 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.81 145.8 53.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -78.66 167.05 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 31.3 mt -103.55 114.78 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -126.23 144.34 50.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.32 128.22 33.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -140.91 121.73 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -90.24 154.09 19.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.14 33.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.46 30.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -103.45 135.02 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 62.88 93.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.14 79.77 0.56 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.53 2.153 . . . . 0.0 112.265 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 17.6 t -115.36 -171.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -131.08 110.28 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.81 172.94 11.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 136.34 155.19 7.04 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.93 -63.74 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -139.52 -62.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -133.76 -67.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.12 150.76 33.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.68 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.572 ' O ' HG12 ' A' ' 190' ' ' VAL . 19.5 t 62.85 39.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -95.05 88.48 5.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 193' ' ' ASP . 5.2 m -133.33 -47.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 192' ' ' VAL . 3.4 t0 -68.0 133.09 48.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 195' ' ' ASP . 11.3 m -141.28 -48.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.294 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 195' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 194' ' ' VAL . 0.7 OUTLIER 179.43 91.26 0.18 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.23 -15.18 38.87 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.462 2.108 . . . . 0.0 112.542 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -136.58 178.07 7.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 111.102 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 167' ' ' TRP . 16.8 m -149.32 116.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.48 138.7 52.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' MET . . . . . 0.578 ' CE ' ' HB3' ' A' ' 165' ' ' ALA . 0.0 OUTLIER -144.75 151.55 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 4.4 pt -134.42 142.18 41.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.213 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.56 -177.62 23.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.98 161.46 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -160.72 175.29 37.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.624 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' A' ' 161' ' ' LEU . 12.3 t80 -158.33 121.06 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.564 ' CB ' HD12 ' A' ' 8' ' ' ILE . 13.1 pttp -101.21 141.01 34.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -67.73 147.39 52.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.8 150.38 47.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -99.77 -66.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.823 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.828 0.347 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -111.32 169.89 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -177.15 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -71.03 140.61 50.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.22 5.22 67.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.758 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.3 123.55 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.33 114.51 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.2 131.57 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.6 pt -107.23 158.97 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -156.89 161.84 39.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 137.87 2.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.34 -170.98 31.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.418 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.688 ' HB2' HD23 ' A' ' 45' ' ' LEU . 12.0 t80 -161.67 168.34 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 15' ' ' THR . . . -152.59 179.63 8.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -163.26 -67.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t 65.27 91.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -156.02 78.11 4.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.06 142.79 53.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.611 2.208 . . . . 0.0 112.28 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -137.45 30.09 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.0 -33.07 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.68 131.81 47.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t -173.01 81.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -134.18 40.47 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.04 172.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.4 mm 62.69 90.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' CE ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -149.58 -65.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD12 ' CE ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -128.87 -61.48 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -145.53 -66.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.7 150.93 8.3 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.88 139.8 47.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -161.1 -47.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -105.29 166.92 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -140.67 170.29 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.77 131.94 10.87 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.1 p -106.12 32.79 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 60.7 95.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.94 175.16 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.3 p -132.25 52.56 2.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -75.52 -60.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t0 59.92 92.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -101.63 -55.61 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -170.91 65.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.02 23.14 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -95.97 133.5 40.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 13' ' ' PHE . 2.3 mt -59.88 132.33 53.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.11 141.79 15.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.416 HD22 ' HE1' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -118.29 148.04 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.635 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 m -149.19 136.65 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.252 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' HE1' HD22 ' A' ' 47' ' ' LEU . 4.3 m-85 -103.55 143.86 32.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.548 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.3 p -133.01 120.22 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.223 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m-85 -110.37 96.23 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.39 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 132.54 52.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.322 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 1.6 m-85 -112.31 170.39 8.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.926 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -59.25 153.49 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.867 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 77.61 -60.89 0.42 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.872 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 164.06 41.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.618 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 43.2 m95 -103.36 177.1 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.026 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . -171.3 153.76 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.642 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.31 111.95 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -97.12 143.08 28.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 111.224 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.671 HD21 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -145.01 110.49 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.44 179.696 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG21 ' HZ3' ' A' ' 167' ' ' TRP . 18.8 t -90.79 127.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.09 -175.01 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.41 127.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 p -132.47 147.73 66.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.58 -168.13 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.526 2.151 . . . . 0.0 112.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -110.3 -31.44 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -65.97 -179.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.91 178.12 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -88.5 116.11 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.52 -33.43 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.48 135.53 49.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.99 119.75 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -89.94 -64.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.63 93.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.6 mt -101.75 137.44 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.97 120.05 3.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.429 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -36.34 10.3 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.459 2.106 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.09 82.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.548 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 80' ' ' LEU . 9.8 tp -138.95 137.84 36.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -85.37 152.42 23.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.69 -153.38 25.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.72 164.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tt -171.73 -46.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -158.04 137.44 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -142.91 87.58 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 87' ' ' ILE . 3.4 mp -76.45 -50.61 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.705 ' HB2' HD22 ' A' ' 140' ' ' LEU . 8.8 tmtt? -67.65 88.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -167.96 85.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.59 166.62 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.56 135.19 38.12 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.502 2.134 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -147.48 117.3 7.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -90.37 130.46 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.671 HD12 HD21 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -120.19 117.48 28.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.756 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.547 HD11 HG22 ' A' ' 93' ' ' THR . 0.6 OUTLIER -141.91 155.02 45.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.64 139.98 46.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -101.98 146.42 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 58.3 t80 -141.73 125.33 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.77 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.486 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 66.2 m-85 -103.83 94.24 6.14 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.34 -49.97 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.481 2.12 . . . . 0.0 112.542 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 tpt -112.54 -27.08 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.33 151.94 44.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.407 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.52 -17.18 1.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.59 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.79 -170.79 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.739 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -91.2 19.3 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.1 p -69.23 155.3 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.791 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.3 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.79 122.74 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.7 81.62 9.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.023 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.42 22.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.491 2.127 . . . . 0.0 112.213 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -159.31 157.13 29.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.6 148.88 16.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -167.81 -165.03 24.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.621 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.4 tp -143.5 161.71 37.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.66 -165.31 21.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.38 158.9 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -120.84 124.54 45.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.04 115.3 15.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.65 124.4 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.3 p -108.49 171.88 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.56 154.64 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.03 158.12 11.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -118.53 -178.45 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -100.4 168.3 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.68 -31.29 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.96 103.14 15.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.75 127.72 34.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.29 -68.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -170.04 34.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -55.82 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -22.96 40.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.01 -23.77 21.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.371 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -63.01 -31.7 72.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.98 33.81 75.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.578 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -75.35 172.52 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 58.0 m -126.73 17.22 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.335 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 52.9 p -124.86 151.98 44.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 16.7 mmm 61.41 114.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LYS . . . . . 0.445 ' HB3' HD23 ' A' ' 140' ' ' LEU . 21.0 tptt -158.83 -52.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -132.27 -44.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -80.51 96.95 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.62 -51.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.6 m -142.7 116.43 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -153.28 151.24 29.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -116.79 144.15 18.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.589 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.0 174.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.803 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 95' ' ' LEU . . . -144.07 146.3 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -134.81 154.73 21.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.412 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.45 118.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.51 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 8.4 tt -147.18 123.11 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -177.15 -144.96 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.609 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.36 155.47 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -110.69 132.11 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 71.1 t80 -128.48 85.79 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.361 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.567 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.2 ttt -64.07 143.87 57.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -32.87 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 75.29 0.37 3.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.701 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.55 -47.92 9.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.128 0.49 . . . . 0.0 110.35 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -143.12 -34.88 0.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.8 -172.7 4.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 205' ' ' TYR . 1.3 pp -116.79 167.33 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.814 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -119.31 138.44 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 111.167 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -138.85 113.12 8.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.742 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.4 ttm -124.83 146.72 49.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -166.66 179.77 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.26 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.05 127.84 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.429 ' HZ3' HG21 ' A' ' 62' ' ' VAL . 10.0 m0 -109.09 108.64 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.44 109.13 20.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.8 mmt -124.48 118.92 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.03 90.93 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 18.5 tt -101.34 143.04 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.17 152.33 42.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.5 m -154.86 148.74 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -30.16 8.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -93.37 47.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.58 85.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.742 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.6 pp -109.84 -28.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -96.47 144.19 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -141.1 81.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 139.03 39.28 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.579 2.186 . . . . 0.0 112.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.52 120.0 19.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -113.35 165.64 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.37 37.44 20.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -172.42 106.75 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 11.0 p -96.22 -31.0 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.69 161.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -129.18 -57.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 44.8 p -74.81 128.51 35.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 127.38 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 190' ' ' VAL . 12.8 t 59.41 29.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -169.48 72.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.76 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.585 HG12 HG22 ' A' ' 194' ' ' VAL . 4.1 t -94.9 -68.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.2 t0 58.96 19.51 7.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.818 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 192' ' ' VAL . 35.2 m -138.8 -29.58 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' ASP . . . . . 0.413 ' H ' HG12 ' A' ' 192' ' ' VAL . 1.1 t70 -104.78 102.13 33.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.429 ' HB3' ' CE1' ' A' ' 199' ' ' TYR . 75.4 Cg_exo -49.76 162.41 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.492 2.128 . . . . 0.0 112.441 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -100.57 -73.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.98 112.17 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 196' ' ' PRO . 8.4 m-85 -124.61 115.53 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -100.09 148.39 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.56 115.54 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.39 158.4 23.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.582 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.18 154.66 49.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -167.72 -156.93 10.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.647 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.678 ' HA ' HD23 ' A' ' 161' ' ' LEU . 1.6 t80 -142.57 160.71 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 110.824 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -117.24 139.12 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -63.83 123.04 17.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 4.4 mt -83.26 142.64 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.35 -179.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.741 0.305 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -122.63 140.53 52.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.25 -175.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.19 143.05 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.6 5.23 69.33 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.759 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.01 125.53 21.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.897 0.38 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -99.47 107.87 20.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HA ' ' A' ' 206' ' ' LYS . 11.0 mt -117.67 141.87 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -94.86 123.83 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -121.47 152.71 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.66 -162.02 13.85 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' CA ' ' HA2' ' A' ' 202' ' ' GLY . . . 159.92 164.36 14.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.648 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 2.3 p90 -159.0 132.43 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 0.0 110.814 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.24 119.18 27.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 t -112.82 -30.0 7.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.9 t 67.96 140.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t0 61.97 81.1 0.24 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.91 155.82 61.48 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.674 2.25 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -69.43 -32.05 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -24.15 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -31.28 61.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.044 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m 60.09 89.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 p -148.8 155.1 40.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -72.44 -44.67 62.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 25' ' ' ILE . 15.9 mt 63.98 39.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -85.99 153.64 22.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.594 ' HG ' ' N ' ' A' ' 28' ' ' ASP . 0.6 OUTLIER -174.84 -40.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.594 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 9.5 t70 62.01 163.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.37 -128.05 6.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.481 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.03 -56.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 mttp 60.13 31.25 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.99 61.97 1.34 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.778 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -126.69 -54.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.09 88.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.1 m -145.26 127.95 16.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.67 121.43 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.0 175.3 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 p -88.6 90.26 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.8 p -140.28 31.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.16 104.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.33 32.58 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -125.24 125.6 43.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.1 p -110.18 -29.69 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -58.42 164.74 2.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 pp -107.92 -177.01 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.84 157.35 24.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 158.47 23.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 0.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.828 HG23 ' C ' ' A' ' 61' ' ' LEU . 39.6 m -155.8 131.82 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.186 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 61' ' ' LEU . 8.6 m-85 -90.43 156.42 18.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.418 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 141.86 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 111.586 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -133.85 87.56 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.43 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 2.1 ttp -71.91 129.18 37.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.82 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -88.95 140.87 28.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.888 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.0 92.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 31.49 60.73 0.28 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.03 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HG2' ' CZ3' ' A' ' 57' ' ' TRP . 18.7 tttp -163.76 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.845 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.696 ' CD1' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -151.46 -170.75 3.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.865 -179.277 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -170.67 175.3 44.51 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.065 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.9 149.84 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -144.17 135.96 26.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.828 ' C ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -151.55 107.01 3.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.84 139.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.99 140.53 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.617 ' HB2' HD13 ' A' ' 90' ' ' LEU . . . -77.59 143.64 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.1 p -131.12 151.56 79.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.32 170.06 18.14 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.592 2.195 . . . . 0.0 112.287 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.431 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 0.2 OUTLIER -69.35 -169.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.431 ' ND2' ' O ' ' A' ' 67' ' ' PHE . 0.2 OUTLIER -161.66 -57.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -121.89 177.19 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 60.78 96.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.575 ' CG2' HG13 ' A' ' 73' ' ' VAL . 11.0 p -174.02 142.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -122.38 56.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.575 HG13 ' CG2' ' A' ' 71' ' ' VAL . 11.5 m -67.77 143.68 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -86.81 -66.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.8 -65.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tp 60.28 33.2 20.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.09 -159.47 53.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.559 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.36 167.26 24.44 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.591 2.194 . . . . 0.0 112.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.28 31.9 1.67 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 mp -90.9 -50.9 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -104.77 146.77 28.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.93 102.24 2.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.81 155.39 23.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.34 154.7 45.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.01 66.41 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.43 71.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.1 pt -118.8 -39.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -154.69 -58.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 61.54 29.84 18.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -92.06 131.68 34.48 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.6 157.65 40.17 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.403 2.069 . . . . 0.0 112.366 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.12 146.44 42.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.423 ' HA ' ' CE1' ' A' ' 118' ' ' TYR . 1.4 t -156.3 147.97 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 61' ' ' LEU . 1.2 mt -116.29 150.13 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.66 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -151.73 135.57 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.171 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD21 ' CD1' ' A' ' 57' ' ' TRP . 5.4 tt -84.07 150.55 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.561 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -106.99 129.06 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.946 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.66 124.08 49.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -116.74 79.36 9.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.33 -45.81 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.631 2.221 . . . . 0.0 112.256 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 mtt -112.0 -27.02 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.14 133.65 52.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.2 3.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.758 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 p -84.78 -170.65 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.66 19.18 3.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.51 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -173.91 0.22 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.781 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.42 -65.04 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -71.58 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -110.73 89.02 8.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.97 151.81 14.29 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.683 2.255 . . . . 0.0 112.261 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 14.7 p90 -171.04 153.72 3.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.069 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.35 165.1 22.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.292 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 149' ' ' GLU . . . -136.73 153.48 21.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.813 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.81 128.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 110.739 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -171.69 -164.74 27.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.606 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.37 154.05 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.71 126.18 47.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 93' ' ' THR . 7.4 p90 -136.03 117.68 14.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.5 t -102.82 123.85 47.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 m -100.35 88.01 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.11 165.86 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -98.78 157.77 16.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.26 -178.44 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -94.46 -58.77 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.84 27.0 4.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.24 147.65 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.36 158.46 9.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 50.4 m -77.16 -56.91 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -83.01 129.05 35.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -67.52 -45.88 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -31.54 70.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.25 64.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.309 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -32.28 73.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.18 29.55 8.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.89 120.53 25.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -119.01 -45.58 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 84.2 p -102.53 174.04 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 60.9 169.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.03 117.96 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.3 mt -106.79 158.28 17.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -136.71 118.82 15.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.25 -37.99 16.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.782 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.855 ' CB ' HD13 ' A' ' 171' ' ' ILE . 4.8 p -170.74 123.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.07 112.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -139.95 167.34 25.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.547 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.19 142.85 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.89 130.02 43.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -133.33 145.84 17.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.318 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 113' ' ' GLY . 9.3 pt-20 -129.29 152.18 49.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 mt -146.7 119.86 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -173.96 -144.94 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.588 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -164.25 140.17 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.87 117.9 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.4 85.95 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.976 0.417 . . . . 0.0 111.198 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.565 ' HB3' HD12 ' A' ' 161' ' ' LEU . 4.2 ptm -79.1 140.89 37.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.024 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.544 ' N ' HD12 ' A' ' 156' ' ' LEU . 6.0 mp -89.01 -27.17 21.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.699 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 75.06 3.28 4.11 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.55 -45.0 12.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.667 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.05 -32.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.655 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -158.91 -172.45 3.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.019 0.438 . . . . 0.0 111.747 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.34 153.98 31.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.01 129.24 55.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.887 0.375 . . . . 0.0 111.074 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.03 119.88 39.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -135.66 127.22 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 169.13 10.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 198' ' ' VAL . 34.1 t -96.92 115.87 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.978 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -95.24 129.85 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -138.36 101.42 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 6.7 ptp -124.18 122.19 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.05 100.14 5.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.855 HD13 ' CB ' ' A' ' 143' ' ' SER . 1.7 pp -76.88 103.57 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -139.91 145.57 38.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 18.7 m -127.92 146.22 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 166.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -112.08 167.18 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.0 t -68.98 -31.16 69.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.02 139.13 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -66.64 132.33 47.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 95.85 -139.26 14.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.397 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.68 157.09 3.8 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.52 2.147 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 43.7 m -120.15 -52.74 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -164.83 -178.21 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 183' ' ' LEU . 10.8 mt -137.45 117.27 13.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -161.49 77.54 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.443 ' O ' ' ND2' ' A' ' 186' ' ' ASN . 4.9 m -102.08 88.6 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 185' ' ' VAL . 0.7 OUTLIER -164.27 159.13 19.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -145.94 -56.27 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 77.6 p -71.84 111.51 7.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -66.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.4 t -149.13 -47.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -165.64 -53.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.44 ' O ' HG23 ' A' ' 192' ' ' VAL . 5.8 m -133.54 95.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.05 90.43 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.3 p -166.81 137.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.46 95.09 21.04 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.05 109.65 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.63 2.22 . . . . 0.0 112.428 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.67 -69.53 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 166' ' ' VAL . 13.6 t -83.27 142.9 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.991 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -130.39 131.08 45.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 17.4 tpp -118.28 148.87 42.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.73 117.73 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' GLY . . . . . 0.4 ' HA2' ' CA ' ' A' ' 12' ' ' GLY . . . -135.02 159.97 24.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -122.14 138.23 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.65 -176.56 24.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.573 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -159.05 132.99 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.726 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -94.07 137.47 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.805 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.0 150.71 46.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.52 117.05 33.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 60.48 175.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.948 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.77 0.319 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -93.65 163.29 13.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -160.18 -177.9 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.623 ' N ' ' HB2' ' A' ' 54' ' ' ALA . . . -77.06 133.48 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 93.78 5.2 63.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.723 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 126.36 28.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.857 0.361 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.79 114.38 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 52' ' ' MET . 4.0 mp -117.08 139.53 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mt -95.76 130.75 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.59 141.07 51.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.73 -173.97 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' HA2' ' HA2' ' A' ' 202' ' ' GLY . . . -172.09 155.16 23.12 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.5 p90 -138.7 135.91 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.13 141.07 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.31 110.93 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.756 HG22 ' HD3' ' A' ' 18' ' ' PRO . 12.1 p -93.57 137.13 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.77 68.67 6.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.756 ' HD3' HG22 ' A' ' 16' ' ' VAL . 57.0 Cg_endo -70.94 160.06 50.56 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.562 2.175 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -127.88 30.61 5.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.97 -68.63 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.3 m -100.03 31.1 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 -38.29 40.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t -118.08 31.16 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -97.59 90.34 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.2 mt -124.61 -44.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -63.83 -45.71 88.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.07 100.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -130.7 134.28 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.14 -140.04 6.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.38 -62.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -76.1 82.13 2.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -94.45 134.96 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -161.93 98.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.61 113.59 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -90.12 -67.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.48 98.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 178.23 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 p 53.28 80.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 m -105.61 -37.97 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.02 163.59 31.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -103.89 98.86 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.32 -28.62 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.5 p -96.29 23.02 7.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -82.62 124.94 30.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 1.4 pp -111.24 161.48 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.08 144.29 12.4 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.544 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -118.28 148.65 42.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.696 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.3 m -152.65 133.33 13.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -93.44 165.99 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.89 142.23 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.122 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.438 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 6.3 t80 -128.24 85.67 2.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.466 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.96 135.82 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -113.3 134.63 54.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.623 ' HB2' ' N ' ' A' ' 4' ' ' ALA . . . -67.93 89.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.607 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ALA . 1.2 m-20 159.43 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.464 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.7 35.37 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.79 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.476 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -119.89 157.79 28.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.081 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . -161.63 126.14 1.53 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.553 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.0 111.97 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.47 146.11 29.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.83 110.59 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.0 147.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.65 124.96 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.88 150.15 33.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 p -92.02 147.77 35.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.9 -42.16 65.81 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.51 2.14 . . . . 0.0 112.308 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -156.91 -65.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -64.1 149.41 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -111.86 158.67 19.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -97.59 -46.94 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.71 82.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t0 60.57 157.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.5 m -73.62 166.48 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -123.69 -59.58 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.92 114.01 2.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.85 -39.36 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.49 134.79 2.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.9 -168.05 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.463 2.109 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.02 -177.09 42.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.12 -39.76 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.92 120.37 39.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.58 147.28 4.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.433 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.27 95.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -84.98 -40.7 16.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.37 84.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -123.43 161.6 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -143.26 128.25 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.51 133.3 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.09 91.97 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 mt -139.57 96.03 8.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.1 134.94 33.16 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.491 2.128 . . . . 0.0 112.24 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.32 166.07 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.525 HG23 ' OD1' ' A' ' 117' ' ' ASN . 1.3 m -145.3 113.37 6.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.77 124.07 51.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 0.4 OUTLIER -139.18 138.57 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.15 118.31 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -101.81 144.02 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -135.55 140.23 44.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.5 p90 -137.11 88.41 17.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.54 -27.79 15.16 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.509 2.14 . . . . 0.0 112.273 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.1 mtm -108.13 30.69 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.46 146.31 16.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.68 -1.79 5.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.733 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.667 HG23 ' H ' ' A' ' 106' ' ' SER . 10.0 t -84.86 -170.5 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.311 . . . . 0.0 110.668 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.73 19.19 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.667 ' H ' HG23 ' A' ' 104' ' ' THR . 30.6 t -68.67 136.6 53.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.73 70.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 19.1 p90 -93.49 146.92 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.51 88.22 18.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.0 140.87 97.31 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.583 2.189 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -154.14 137.89 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.08 141.46 8.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.673 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.35 -168.34 38.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -147.14 -178.99 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.66 -164.96 32.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m -125.52 149.49 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.525 ' OD1' HG23 ' A' ' 93' ' ' THR . 3.7 m-20 -117.98 129.33 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -117.37 127.92 54.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.2 p -139.14 136.36 35.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.5 m -125.97 155.97 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.17 166.01 24.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.88 167.85 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.7 117.83 20.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.75 125.13 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.88 27.08 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.8 -34.51 6.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -100.26 130.09 46.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 p -145.93 -47.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -111.21 31.32 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.421 ' HG2' ' CD2' ' A' ' 135' ' ' PHE . 17.8 ttt180 -60.46 -49.52 77.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -68.13 -32.31 72.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.47 72.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -63.02 -25.03 68.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.11 43.94 1.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.446 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.421 ' CD2' ' HG2' ' A' ' 130' ' ' ARG . 0.2 OUTLIER -74.44 104.4 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.87 -31.66 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 p -121.38 167.25 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 60.55 94.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 160.43 16.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 140' ' ' LEU . 3.8 mm? -92.06 164.89 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -103.04 99.04 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -154.14 31.77 0.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.97 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.24 170.92 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 34.0 p90 -103.53 156.74 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -162.82 -179.88 37.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.29 127.27 40.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.92 172.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -130.88 160.36 23.24 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.649 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -156.04 125.09 6.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.336 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.552 ' O ' HG22 ' A' ' 166' ' ' VAL . 0.3 OUTLIER -157.56 116.58 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -168.93 -144.97 4.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.625 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -148.53 146.84 28.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -100.5 116.85 33.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -106.25 85.66 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.532 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -71.26 144.61 49.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.004 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 1.3 mt -90.61 -28.0 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.768 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 7.9 m120 68.94 2.04 3.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.97 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.75 -48.25 8.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.175 0.512 . . . . 0.0 110.3 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -143.29 -35.7 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.907 ' HB2' ' CE2' ' A' ' 205' ' ' TYR . . . -150.03 -172.86 4.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.532 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.3 pp -116.89 173.01 6.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.88 146.11 49.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.79 121.07 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.527 ' HG2' HG22 ' A' ' 201' ' ' ILE . 23.5 mtp -132.16 116.09 16.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -154.48 172.61 17.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.436 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 150' ' ' LEU . 30.7 m -97.01 148.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -116.79 114.17 23.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.404 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 3.8 t80 -78.08 142.78 37.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -68.81 160.2 30.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -80.2 158.56 26.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.001 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 29.2 mt -132.58 138.89 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.009 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -92.5 130.56 38.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.2 p -74.04 161.18 30.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.24 129.22 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -109.72 77.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.3 m -161.07 118.75 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ILE . . . . . 0.528 ' O ' HG23 ' A' ' 177' ' ' ILE . 7.0 tt -172.03 59.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.033 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.25 112.48 22.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 160.28 92.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.43 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -51.67 124.36 14.25 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.524 2.149 . . . . 0.0 112.407 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 7.3 t -151.55 123.78 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -96.83 170.55 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.5 29.92 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -135.42 100.63 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 23.1 m -133.14 177.08 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -136.72 116.85 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -123.75 137.11 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.4 136.13 38.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.33 -47.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 191' ' ' ASP . 21.5 t -143.84 157.91 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.467 ' N ' HG12 ' A' ' 190' ' ' VAL . 5.3 m-20 -98.68 29.88 3.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 193' ' ' ASP . 21.5 t 60.84 155.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 192' ' ' VAL . 0.2 OUTLIER -116.29 -45.77 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.22 77.86 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -156.05 157.3 31.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.77 118.64 5.54 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.577 2.185 . . . . 0.0 112.246 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -92.86 166.51 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 166' ' ' VAL . 19.9 m -131.37 158.97 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -146.48 117.17 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.37 137.02 48.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.527 HG22 ' HG2' ' A' ' 164' ' ' MET . 1.5 pt -138.99 114.47 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 202' ' ' GLY . . . . . 0.407 ' HA2' ' HA2' ' A' ' 12' ' ' GLY . . . -132.4 -171.63 12.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.722 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -137.07 143.59 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.474 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -147.35 -168.72 14.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.578 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.907 ' CE2' ' HB2' ' A' ' 160' ' ' ALA . 61.6 m-85 -142.67 161.06 39.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.53 138.12 50.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.29 129.31 38.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 3.2 mt -112.08 116.18 30.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -140.52 35.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.846 0.355 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -80.82 99.13 8.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -114.1 -178.36 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -75.4 129.9 38.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.08 5.11 64.26 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.33 137.93 58.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.38 104.95 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.706 HG23 ' OG1' ' A' ' 50' ' ' THR . 3.1 tt -127.38 145.36 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.638 HD11 ' HB3' ' A' ' 205' ' ' TYR . 2.7 pt -114.45 154.04 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -138.01 159.95 40.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.28 -172.04 12.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.49 176.6 34.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.529 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -136.48 148.47 47.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.318 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.44 132.86 35.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.3 p -126.88 102.69 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.2 m -59.48 -177.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -162.52 -65.42 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.026 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 48.6 Cg_endo -68.93 146.92 66.93 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.417 2.078 . . . . 0.0 112.214 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -115.43 -44.63 2.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -59.73 -32.35 70.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.22 111.92 24.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 m -156.34 -173.92 4.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 39' ' ' VAL . 63.0 m -133.18 149.44 52.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 60.4 172.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 25' ' ' ILE . 23.0 mm 63.71 31.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.2 115.02 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.15 84.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -174.01 109.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.9 48.35 0.95 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.37 80.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -111.18 137.27 49.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.36 -178.79 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 30.9 20.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.99 147.37 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 p -97.36 -43.07 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.6 mttp 60.65 97.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.71 106.43 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.2 p -147.07 37.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 23' ' ' SER . 12.3 m -111.19 -17.83 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.437 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.95 151.97 4.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.68 37.3 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.25 94.08 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.6 m -59.85 -45.27 92.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.0 162.66 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.792 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -85.17 -174.65 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.89 155.43 48.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 mt -129.86 132.1 46.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.757 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.915 HG22 ' HA ' ' A' ' 62' ' ' VAL . 50.0 p -141.48 130.46 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.072 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -93.21 153.86 18.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 179.702 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.706 ' OG1' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -144.5 140.19 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -130.25 94.37 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.82 136.12 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.358 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.22 170.46 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.757 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -61.54 154.67 24.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.667 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER 79.55 -60.5 0.33 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.834 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 161.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -111.18 175.27 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 97' ' ' GLN . . . -178.11 145.36 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.98 112.01 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.74 150.02 23.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tp -146.72 123.76 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.68 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' A' ' 48' ' ' THR . 12.9 t -90.96 137.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 179.59 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -165.35 147.29 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 m -126.67 138.58 32.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.3 -169.48 0.41 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.473 2.115 . . . . 0.0 112.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.47 ' HE2' HD21 ' A' ' 68' ' ' ASN . 45.1 p90 -105.64 -42.66 5.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.47 HD21 ' HE2' ' A' ' 67' ' ' PHE . 0.3 OUTLIER -78.56 115.59 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -92.12 69.73 5.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.42 92.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 71' ' ' VAL . 11.1 p -134.18 114.51 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -143.94 86.19 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 m -112.59 -29.41 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -49.89 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.1 -150.3 12.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.533 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 mp -122.53 170.56 9.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.733 0.301 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.29 61.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.31 145.14 36.85 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.542 2.161 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.0 133.32 5.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 tp -86.85 -30.92 21.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -58.73 89.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.62 44.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.6 168.07 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.0 mt 60.01 76.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.4 -57.84 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -105.69 -179.89 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.1 mt -72.72 136.5 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -128.6 121.04 27.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -124.6 -44.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.965 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mp 61.56 165.1 0.1 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.85 126.04 15.89 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.526 2.15 . . . . 0.0 112.227 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.79 140.97 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.518 HG23 ' CG ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -102.39 132.64 48.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.6 tp -111.72 144.36 41.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -159.91 135.64 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.166 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 96' ' ' LEU . 14.0 mt -94.8 120.74 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.0 OUTLIER -101.92 119.76 39.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.43 ' CZ ' ' HA3' ' A' ' 112' ' ' GLY . 16.5 p90 -121.8 150.22 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -112.97 91.82 19.24 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.5 -52.07 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.096 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -27.02 8.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -55.07 117.3 8.02 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.662 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.41 45.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.211 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -153.95 -170.89 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.674 0.273 . . . . 0.0 110.678 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -77.48 5.37 9.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.66 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 p -58.09 139.23 55.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.75 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -96.53 136.27 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -108.67 92.73 10.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.03 133.86 30.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.464 2.109 . . . . 0.0 112.229 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -139.35 159.28 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 98' ' ' TYR . . . -116.31 146.11 18.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.314 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.463 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -131.34 147.43 18.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.711 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -165.65 129.49 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.728 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -172.58 -164.67 28.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.67 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 118' ' ' TYR . 11.1 p -125.16 146.54 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.518 ' CG ' HG23 ' A' ' 93' ' ' THR . 46.7 t30 -116.29 114.05 23.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 116' ' ' VAL . 15.0 m-85 -131.68 127.89 37.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 68.3 p -114.75 133.04 56.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.88 134.11 41.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -129.05 139.16 52.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.997 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -101.15 135.08 43.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -120.97 111.98 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -112.63 -35.99 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -94.18 -36.8 11.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.2 mp 60.65 95.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.64 126.73 34.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.92 104.31 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -155.51 107.58 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -73.99 -31.22 62.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -76.63 -30.17 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.52 -41.66 85.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.86 -30.96 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.84 28.46 68.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -104.99 153.52 21.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.4 p -60.26 -56.24 23.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.3 160.01 14.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.5 mtt -123.53 34.07 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.02 97.57 3.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.28 145.76 26.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.32 106.92 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -105.79 -66.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.0 m -148.83 98.25 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' TRP . . . . . 0.686 ' HE3' HG21 ' A' ' 171' ' ' ILE . 7.4 t90 -157.91 136.74 11.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.403 ' CA ' ' HB ' ' A' ' 171' ' ' ILE . . . 123.98 177.05 14.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.549 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -58.85 155.79 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.735 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.554 ' HB3' HD11 ' A' ' 95' ' ' LEU . . . -126.62 159.02 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.239 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.02 144.94 10.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.432 ' CD ' HD22 ' A' ' 95' ' ' LEU . 71.8 mt-10 -132.91 147.14 52.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 166' ' ' VAL . 0.8 OUTLIER -153.84 118.72 5.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.69 -145.19 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.576 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -146.61 176.12 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.15 114.13 22.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -97.22 85.83 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.511 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 19.6 ptt? -75.12 146.97 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.273 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 7.2 mt -98.26 -23.75 15.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 1.6 m120 68.88 7.8 6.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.846 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -85.65 -48.37 8.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.28 -36.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.688 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -152.23 -172.61 4.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.75 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -116.71 170.33 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.848 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.36 148.88 41.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.089 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.52 118.31 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 24.5 mtt -126.06 128.61 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.05 169.81 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 150' ' ' LEU . 6.4 m -96.99 126.25 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -105.36 146.44 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -163.57 134.57 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.793 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.2 ptp -158.5 103.5 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.24 119.2 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ILE . . . . . 0.686 HG21 ' HE3' ' A' ' 144' ' ' TRP . 3.8 tp -76.86 139.81 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -124.42 97.8 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 41.7 p -86.86 136.08 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -164.5 134.83 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 178' ' ' ASN . . . -72.96 178.86 4.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.055 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 22.9 t -105.88 -31.7 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.0 pt -92.51 -29.0 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.533 ' HB2' ' HB3' ' A' ' 175' ' ' ALA . 3.6 m-20 -82.32 128.19 33.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -96.27 -150.03 26.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.42 161.0 3.05 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.541 2.161 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.85 26.67 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -179.77 134.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.19 173.0 11.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 153.21 -28.49 0.79 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 9.7 p -159.38 151.83 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -72.33 97.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -169.19 177.78 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 189' ' ' LYS . 0.2 OUTLIER -117.5 173.81 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 189' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 188' ' ' THR . 2.2 mppt? -128.81 91.31 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 190' ' ' VAL . 11.5 p -119.39 115.2 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -150.6 145.7 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.518 HG12 HG22 ' A' ' 194' ' ' VAL . 20.5 t -95.5 -61.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 3.5 p30 44.34 39.23 2.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.451 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.518 HG22 HG12 ' A' ' 192' ' ' VAL . 27.3 m -156.3 -177.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.29 138.93 74.0 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.5 -46.43 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.459 2.106 . . . . 0.0 112.304 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 4.2 m0 -161.47 137.53 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.44 138.19 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.95 118.71 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.7 pt -110.72 147.23 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.11 -169.74 16.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 203' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 203' ' ' PHE . 6.8 m-85 -121.83 178.81 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.356 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 204' ' ' GLY . . . . . 0.4 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -164.76 159.62 32.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.638 ' HB3' HD11 ' A' ' 9' ' ' ILE . 50.5 t80 -158.93 138.97 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' A' ' 8' ' ' ILE . 6.2 mttm -96.76 139.44 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -72.59 143.37 48.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.2 mt -111.31 127.92 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.15 94.31 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.824 0.345 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -155.1 156.32 35.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.77 -170.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.516 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -78.55 156.58 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.62 2.4 84.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.825 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 149.71 26.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.837 0.351 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -127.53 115.68 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.819 HG22 ' HA ' ' A' ' 206' ' ' LYS . 1.1 pt -137.4 137.22 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.052 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 10' ' ' ARG . 22.9 mm -94.87 159.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -145.2 110.08 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.57 138.5 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.63 -175.14 26.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CD1' HD21 ' A' ' 45' ' ' LEU . 24.7 m-85 -78.19 149.88 33.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.14 108.31 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -166.85 117.57 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.78 107.29 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.12 128.28 12.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.18 167.29 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.486 2.124 . . . . 0.0 112.265 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -142.93 -60.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -19.27 51.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.206 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.35 34.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.842 0.353 . . . . 0.0 111.04 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.2 p -83.16 -175.75 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -160.99 164.29 31.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.29 156.49 41.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 25' ' ' ILE . 18.3 mm 60.78 19.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.357 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.42 42.03 32.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HG ' ' H ' ' A' ' 28' ' ' ASP . 8.5 tp -64.77 172.23 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.512 ' H ' ' HG ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -98.85 111.11 23.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.7 96.85 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.583 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.6 147.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -164.44 139.52 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -123.66 121.46 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.79 101.0 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.12 72.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.449 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.2 164.12 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.809 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -123.72 116.12 22.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.88 85.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -74.01 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -109.34 -31.12 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -154.99 -56.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 p -170.35 -70.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.79 88.9 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -118.71 -41.85 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.97 142.53 27.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 13' ' ' PHE . 4.2 mp -117.16 164.44 14.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.42 135.15 12.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD22 ' OG1' ' A' ' 65' ' ' THR . 3.1 tp -126.32 129.05 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 61' ' ' LEU . 28.7 m -146.83 134.14 20.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.259 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -88.42 158.14 18.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -138.01 137.63 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.069 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.89 156.59 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.656 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.419 ' HG3' ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -133.49 117.98 17.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 4.9 t80 -109.37 168.32 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.723 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.65 158.21 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.702 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 17.1 t70 80.4 -61.57 0.26 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 160.35 43.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.675 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.405 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -104.12 157.57 17.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.13 144.99 10.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -110.12 137.9 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.686 0.279 . . . . 0.0 110.967 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.28 135.73 45.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -132.67 115.59 15.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.03 132.53 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.192 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.05 -175.01 3.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.28 136.67 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.467 ' OG1' HD22 ' A' ' 47' ' ' LEU . 77.7 m -95.17 131.0 30.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.74 114.46 1.86 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.446 2.097 . . . . 0.0 112.22 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.64 31.47 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -119.76 148.87 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -92.86 -67.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -178.53 -175.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.688 HG21 ' HD2' ' A' ' 74' ' ' LYS . 25.8 m -133.01 151.81 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -102.47 -62.39 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.27 97.19 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.688 ' HD2' HG21 ' A' ' 71' ' ' VAL . 22.8 tttt -131.19 -55.97 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.02 61.12 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.74 -32.21 69.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.17 -117.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.15 121.65 8.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.47 2.113 . . . . 0.0 112.297 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.11 112.04 3.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.541 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 pp -158.52 159.73 35.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.57 118.35 25.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.38 -63.79 4.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.513 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -143.58 -72.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mt -119.07 -40.73 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 61.65 90.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -128.27 145.81 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -148.21 -43.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.355 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.26 -171.28 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.48 179.28 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.421 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 2.8 mt -139.0 65.25 36.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 90' ' ' LEU . 8.3 Cg_exo -72.12 129.67 15.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.868 2.379 . . . . 0.0 112.33 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.05 102.92 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.9 m -101.93 121.64 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -118.27 128.23 54.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 pp -147.39 162.29 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.415 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.79 118.9 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.45 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.43 153.28 20.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.78 139.98 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.64 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 67.2 m-85 -107.56 80.98 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.31 -42.25 5.8 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.633 2.222 . . . . 0.0 112.186 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -125.22 29.2 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.58 101.55 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.88 44.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.21 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -152.86 -170.56 3.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 110.664 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 104' ' ' THR . 26.8 p30 -75.39 2.47 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.698 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.9 p -57.26 -176.51 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.45 -42.92 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.21 139.35 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -118.17 79.99 15.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 131.83 17.23 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.574 2.183 . . . . 0.0 112.439 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -137.58 165.9 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.743 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.96 144.67 10.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.31 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 pp -144.07 179.9 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.39 -164.91 28.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' A' ' 144' ' ' TRP . 25.5 m -128.9 145.24 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -108.14 141.95 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -135.15 135.91 41.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 p -113.8 104.34 12.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.5 t -97.86 125.65 42.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.81 156.08 47.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -111.1 154.51 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.408 ' HB3' HD13 ' A' ' 126' ' ' LEU . 14.6 m-20 -152.54 34.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -74.6 -27.12 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -96.33 27.06 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 123' ' ' ASP . 0.2 OUTLIER -75.99 165.77 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.909 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -97.67 175.16 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.67 178.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -101.66 129.54 47.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -38.22 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -62.14 -34.18 75.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.44 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -29.73 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.02 30.25 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.629 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.76 110.99 19.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -126.95 -54.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.6 p -98.94 162.78 12.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.2 mtt 60.47 90.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -96.06 -60.56 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.35 158.19 24.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -71.49 159.47 34.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -150.98 86.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -155.77 150.26 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' TRP . . . . . 0.414 ' CD1' ' HB ' ' A' ' 116' ' ' VAL . 0.1 OUTLIER -156.01 126.08 6.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -106.95 136.91 13.65 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.429 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.52 107.69 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.8 171.01 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.427 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -125.12 153.82 18.11 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.93 116.99 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.756 0.312 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.546 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 2.5 pp -157.95 140.07 14.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.974 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -177.06 -147.61 6.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.721 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -146.36 155.02 42.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -118.38 134.19 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 162' ' ' PHE . 91.2 t80 -118.83 85.46 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.642 ' HB3' HD23 ' A' ' 161' ' ' LEU . 3.9 ptt? -69.46 149.94 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 5.5 mp -110.04 -33.07 6.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 60.9 m-20 72.43 0.41 3.59 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.838 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.47 -47.96 9.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -137.26 -36.57 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.795 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.58 -172.94 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.642 HD23 ' HB3' ' A' ' 155' ' ' MET . 1.5 mp -117.0 170.48 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.487 ' HE1' HD12 ' A' ' 201' ' ' ILE . 55.6 t80 -111.55 148.81 32.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -148.04 132.26 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.654 ' HG3' HG22 ' A' ' 201' ' ' ILE . 12.2 ttt -156.65 150.65 24.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.76 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.546 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -168.9 173.96 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 111.389 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.2 t -96.98 142.36 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.17 107.03 17.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.427 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 39.5 t80 -78.72 148.64 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.7 ptp -68.62 156.57 37.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -105.5 167.12 9.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.97 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 25.9 mm -86.88 125.69 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -134.21 141.27 46.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 t -66.49 116.04 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -36.21 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -88.99 145.11 25.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.73 32.01 2.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 16.1 pt -154.15 179.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.16 149.89 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 155.62 123.85 0.84 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.02 -43.57 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.466 2.111 . . . . 0.0 112.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.19 115.96 21.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -121.76 138.08 54.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.77 118.66 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -156.37 147.56 16.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.39 140.04 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -82.76 170.12 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.792 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.67 164.07 6.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.41 105.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.68 66.8 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 191' ' ' ASP . 10.2 t 58.77 162.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ASP . . . . . 0.478 ' N ' HG12 ' A' ' 190' ' ' VAL . 13.6 t0 71.41 123.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.2 t 59.42 82.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.36 -55.67 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 194' ' ' VAL . 8.9 m -74.68 89.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 195' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 196' ' ' PRO . 0.3 OUTLIER -63.93 -61.2 7.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 195' ' ' ASP . 37.6 Cg_endo -66.21 157.71 58.5 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.449 2.1 . . . . 0.0 112.238 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -89.37 159.97 17.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 199' ' ' TYR . 11.1 t -98.25 162.27 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 199' ' ' TYR . . . . . 0.488 ' N ' HG12 ' A' ' 198' ' ' VAL . 4.7 t80 -106.29 136.09 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.15 166.8 12.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.654 HG22 ' HG3' ' A' ' 164' ' ' MET . 40.3 pt -98.89 146.41 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.34 -167.38 11.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.98 178.96 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.758 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.24 167.69 21.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.516 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -154.61 135.07 13.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.819 ' HA ' HG22 ' A' ' 8' ' ' ILE . 5.9 pttt -100.01 128.06 46.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -124.97 169.06 12.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.1 mt -117.56 140.12 50.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -167.51 123.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.809 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 mtt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.777 0.322 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -115.87 104.0 11.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.76 166.7 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.94 130.56 36.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.65 5.23 64.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.636 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 124.37 17.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' HD13 ' A' ' 8' ' ' ILE . 59.9 m-85 -81.88 117.52 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 7' ' ' PHE . 26.4 mm -128.74 137.69 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.043 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -122.69 118.44 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -126.26 135.34 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.26 137.97 2.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.615 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.59 -175.01 28.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.462 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 201' ' ' ILE . 53.5 p90 -62.32 130.29 44.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.812 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.35 146.85 27.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.8 p -141.99 88.87 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.774 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 17' ' ' ASP . 15.9 m -136.54 -43.31 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.366 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 16' ' ' VAL . 2.8 m-20 65.13 91.57 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.3 163.43 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.626 2.217 . . . . 0.0 112.442 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -145.65 51.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.95 -30.06 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -103.35 -60.45 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 p -93.37 156.91 16.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -157.31 150.18 23.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.67 79.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 pt -118.02 -35.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -65.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mt -159.61 129.6 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.56 162.0 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.13 150.5 32.19 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.65 105.21 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -160.4 -58.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -119.7 -41.43 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -100.69 143.46 30.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -159.08 -100.13 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.14 43.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.84 148.34 49.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 67.04 -72.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 51.79 91.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -111.95 -41.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -92.11 110.98 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.37 -50.21 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -100.32 79.61 2.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 t -70.35 -43.44 70.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -135.85 157.61 46.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 13' ' ' PHE . 6.8 mp -109.47 162.33 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.38 136.44 13.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mp -126.86 137.23 53.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.775 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 62' ' ' VAL . 40.3 p -141.09 150.97 43.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.091 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.611 ' HD1' HG22 ' A' ' 9' ' ' ILE . 27.9 m-85 -113.51 111.34 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.71 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' A' ' 8' ' ' ILE . 63.1 m -96.88 142.9 28.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.171 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.12 95.07 4.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.96 130.67 47.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.377 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 2.7 m-85 -109.83 129.07 55.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.855 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -66.87 86.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.537 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 162.81 -55.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.248 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER 160.42 36.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.87 179.336 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -123.11 163.74 19.98 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.424 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.57 122.59 1.11 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.399 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.8 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -117.58 138.17 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.245 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 94' ' ' LEU . 11.3 mt -123.41 144.61 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.87 ' HA ' HG22 ' A' ' 48' ' ' THR . 23.7 t -102.64 132.36 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.11 137.26 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.44 150.72 49.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -98.87 138.55 20.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.01 -45.21 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.521 2.147 . . . . 0.0 112.298 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -164.93 143.92 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.03 -170.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.22 167.73 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.36 153.23 39.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -179.04 -37.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t0 70.22 -65.57 0.31 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 76' ' ' LEU . 11.4 p -138.22 142.17 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -96.24 42.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.1 112.51 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.549 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.465 ' HB2' HG21 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -167.32 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.93 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.14 117.71 0.74 Allowed Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.99 -45.73 1.88 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.494 2.129 . . . . 0.0 112.286 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.11 119.57 6.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.53 -42.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -110.21 148.55 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.48 98.03 0.12 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.86 118.53 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp 60.31 163.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.93 177.64 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.58 97.35 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.31 110.46 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.59 ' HE3' HG21 ' A' ' 120' ' ' THR . 0.2 OUTLIER 60.12 81.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -109.96 -63.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 mt -133.71 155.86 80.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.824 ' HB3' HG22 ' A' ' 119' ' ' THR . 54.3 Cg_exo -52.01 148.41 23.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.613 2.209 . . . . 0.0 112.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.2 143.31 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 61' ' ' LEU . 1.3 m -115.66 144.51 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD12 HD21 ' A' ' 61' ' ' LEU . 3.1 tp -132.06 129.12 39.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.73 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.629 HD21 ' CB ' ' A' ' 147' ' ' ALA . 4.2 mp -139.22 162.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 mt -124.96 122.33 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' CE2' ' HG3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -114.45 135.98 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.67 79.76 0.67 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.51 -44.35 2.3 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.544 2.163 . . . . 0.0 112.278 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -106.64 30.19 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.59 130.3 10.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.29 -17.74 2.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -84.82 -170.76 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.811 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.438 ' H ' HG22 ' A' ' 104' ' ' THR . 4.5 p-10 -89.67 19.06 4.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.84 131.73 47.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.769 0.318 . . . . 0.0 110.777 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.82 82.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -81.38 137.82 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.71 85.26 3.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.57 151.13 58.34 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.622 2.215 . . . . 0.0 112.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.25 138.03 13.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.68 146.87 18.86 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.71 -164.99 32.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.51 -178.96 5.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.15 -165.0 30.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.0 164.41 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.423 ' HA ' HG23 ' A' ' 93' ' ' THR . 5.2 t-20 -138.93 124.16 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -134.33 127.11 31.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.824 HG22 ' HB3' ' A' ' 91' ' ' PRO . 4.6 p -122.69 131.31 53.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.59 HG21 ' HE3' ' A' ' 88' ' ' LYS . 75.9 p -121.18 113.03 19.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.01 129.59 51.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.769 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -65.43 172.01 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.12 119.84 13.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -177.13 5.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -114.29 -38.17 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.6 pp -75.46 -33.78 60.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.44 137.92 44.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.25 160.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -127.42 145.92 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 135' ' ' PHE . 0.0 OUTLIER -80.97 -48.13 12.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -74.2 -30.11 62.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.15 85.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.69 -34.02 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.08 44.97 58.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.719 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 130' ' ' ARG . 6.3 p90 -93.05 145.69 24.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.761 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.02 17.1 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.5 p -134.03 132.75 40.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.11 130.24 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -103.89 107.46 18.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.5 117.34 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -130.02 30.38 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.06 30.56 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.6 m -83.87 146.71 27.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -120.38 125.42 47.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -99.62 -177.63 31.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.86 132.58 43.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.629 ' CB ' HD21 ' A' ' 95' ' ' LEU . . . -105.56 153.42 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.86 160.95 21.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.36 120.37 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.63 112.88 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 176.69 -144.86 7.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.624 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -158.61 160.87 37.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.35 115.78 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 162' ' ' PHE . 13.1 t80 -90.48 85.24 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.84 ' HB3' HD22 ' A' ' 161' ' ' LEU . 3.2 mtm -70.99 151.16 44.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.628 HD23 ' HB2' ' A' ' 158' ' ' GLU . 2.4 tp -110.22 -40.01 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.725 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t30 78.14 -4.49 2.2 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.734 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.628 ' HB2' HD23 ' A' ' 156' ' ' LEU . 1.3 mm-40 -85.33 -44.14 13.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.059 0.457 . . . . 0.0 110.562 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -36.0 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -164.21 -173.01 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.84 HD22 ' HB3' ' A' ' 155' ' ' MET . 0.9 OUTLIER -117.0 168.95 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.404 ' CB ' ' O ' ' A' ' 154' ' ' TYR . 3.6 t80 -115.88 136.97 52.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.749 0.309 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.01 130.51 53.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 201' ' ' ILE . 0.5 OUTLIER -151.48 115.95 5.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.722 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -162.46 167.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.351 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 29.7 t -97.11 118.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -104.51 124.88 50.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.51 97.56 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 3.7 ptm -128.46 106.52 9.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.83 136.7 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 4.6 pt -76.92 114.88 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.84 134.95 45.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.1 t -97.08 141.96 29.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.81 157.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -167.44 171.45 10.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 77.5 p -100.41 166.73 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.45 101.01 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.17 120.95 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -97.2 -110.98 2.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.95 139.46 69.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.442 2.095 . . . . 0.0 112.28 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 19.8 m -89.52 -48.21 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -96.87 41.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.89 88.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 152.36 160.66 9.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 31.1 m -76.2 178.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.925 0.393 . . . . 0.0 111.076 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -78.66 159.57 27.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -120.06 -66.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 9.7 t -107.09 134.58 50.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.36 161.87 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.92 157.62 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.73 -55.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.48 135.83 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.52 145.32 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 9.6 p -125.25 146.49 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -71.83 157.97 88.63 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.97 173.75 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.522 2.148 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -131.96 -46.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 104.29 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -127.02 148.22 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 9.5 tpp -125.95 141.53 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.632 HG22 ' HG2' ' A' ' 164' ' ' MET . 2.6 pp -137.7 139.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.32 -170.04 22.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.672 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 203' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 15.5 m-85 -127.62 142.32 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.95 -170.67 12.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.636 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -156.13 160.85 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.01 129.72 53.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.09 116.29 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.419 ' H ' HD23 ' A' ' 208' ' ' LEU . 0.5 OUTLIER -105.49 136.66 44.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.81 98.61 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.796 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mmt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.805 0.336 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.69 42.76 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.63 148.88 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.718 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . . . -60.45 127.1 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.83 5.33 53.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.636 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.22 146.47 53.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 0.0 111.021 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . 10.2 p90 -126.97 105.02 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.453 HG22 ' CB ' ' A' ' 206' ' ' LYS . 1.6 pp -112.96 140.35 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.41 HD12 ' CD2' ' A' ' 49' ' ' PHE . 24.2 mm -95.0 129.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.64 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.89 137.92 2.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.423 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.64 162.24 19.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CB ' HD11 ' A' ' 45' ' ' LEU . 51.5 p90 -147.16 179.12 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.67 83.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.8 p -150.43 30.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 16' ' ' VAL . 27.0 m -85.02 123.96 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 1.8 m-20 -72.41 -60.7 2.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 59.0 Cg_endo -72.05 159.05 51.11 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.498 2.132 . . . . 0.0 112.331 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.12 31.82 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.56 -28.6 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -30.85 65.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.14 129.56 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.5 p -174.19 171.85 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -112.74 -72.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 26' ' ' LYS . 15.1 tt -167.46 -44.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' N ' HG23 ' A' ' 25' ' ' ILE . 10.7 tttm -117.88 -63.02 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.874 ' HG ' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER 60.45 43.25 13.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -59.74 -45.26 92.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.7 58.82 0.59 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.561 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.874 ' HB3' ' HG ' ' A' ' 27' ' ' LEU . . . -114.53 -39.34 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.064 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -149.84 -48.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.65 144.48 28.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.7 -68.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -126.69 -132.68 3.71 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.0 m -151.76 97.48 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.93 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.09 101.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.26 167.23 6.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.45 -49.38 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 60.68 107.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.5 115.27 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.08 98.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.6 p -86.74 -31.06 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -65.81 144.62 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -101.95 165.04 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.747 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -158.56 131.32 2.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.584 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 46' ' ' GLY . 12.4 mt -124.98 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -153.97 134.58 13.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CD2' HD12 ' A' ' 9' ' ' ILE . 5.8 m-85 -91.19 108.49 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.583 HG23 ' HB3' ' A' ' 60' ' ' GLU . 1.1 m -93.14 149.13 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' CB ' ' A' ' 7' ' ' PHE . 89.7 m-85 -141.83 120.22 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.591 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -100.52 131.38 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.28 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB2' ' CB ' ' A' ' 57' ' ' TRP . 97.4 m-85 -115.07 168.45 9.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.852 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.718 ' HB2' ' CB ' ' A' ' 4' ' ' ALA . . . -59.26 158.5 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.955 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 81.28 -62.37 0.19 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.8 45.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.391 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -103.86 137.76 41.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.992 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.36 119.87 1.42 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.471 HG22 ' HG ' ' A' ' 96' ' ' LEU . 21.4 t -123.42 120.07 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.717 0.294 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' A' ' 50' ' ' THR . 0.3 OUTLIER -136.9 149.67 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.79 119.62 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.415 HG21 ' CH2' ' A' ' 167' ' ' TRP . 20.4 t -90.9 148.02 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.515 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.2 116.99 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.047 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . -150.47 168.62 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.992 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 t -110.84 139.8 22.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.15 -171.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.505 2.136 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -140.16 -47.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.48 -174.28 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.806 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.39 145.92 14.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.22 64.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.0 t 68.84 -67.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -153.85 -50.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.1 m -139.44 179.36 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -89.69 -61.07 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.41 -128.49 5.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 mt 62.43 149.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.13 -76.54 0.76 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 82.62 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.533 2.155 . . . . 0.0 112.329 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.61 -171.85 16.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.02 101.76 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.24 104.06 16.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.51 174.5 19.57 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -105.94 171.46 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.62 -59.16 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.62 91.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.4 -67.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.5 mt -126.27 131.04 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -101.0 161.6 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -101.12 150.24 23.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tp -106.23 100.64 30.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -50.89 165.77 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.457 2.104 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.63 133.86 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -137.29 113.91 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 95' ' ' LEU . 9.8 tt -100.07 146.95 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 94' ' ' LEU . 2.8 mp -147.79 154.84 41.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' HG ' HG22 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -132.19 126.01 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 13.2 mt-30 -117.24 157.75 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 94.3 m-85 -126.48 128.59 47.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CZ ' ' CE2' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -59.71 109.36 1.9 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.932 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.1 -45.84 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.417 2.078 . . . . 0.0 112.402 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 mtm -125.71 2.32 7.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.334 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.404 ' HA3' ' CD1' ' A' ' 99' ' ' TYR . . . -61.1 124.09 34.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.444 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 -28.08 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -84.98 -170.93 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.817 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.445 ' H ' HG22 ' A' ' 104' ' ' THR . 8.8 p30 -92.77 19.1 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.297 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 p -67.38 141.17 57.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.742 0.306 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.24 -27.35 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -89.59 126.43 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.88 93.94 8.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.62 155.0 59.66 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.569 2.179 . . . . 0.0 112.478 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -159.7 138.02 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.11 14.98 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.692 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.02 -165.0 38.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.71 178.7 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.72 ' C ' ' HB3' ' A' ' 147' ' ' ALA . . . -160.81 -164.98 16.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m -141.66 143.05 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -116.84 124.9 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.25 134.33 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.9 m -137.28 102.03 4.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.7 t -97.84 145.61 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -150.54 126.21 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -100.6 148.57 24.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -145.82 -47.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -74.73 134.68 41.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.89 26.98 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.63 -31.98 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.6 122.99 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 53.5 p -175.76 133.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 60.28 92.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.2 ttt85 -77.17 -36.07 55.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -62.49 -32.87 73.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.03 -24.04 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.248 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -96.62 29.18 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.038 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.57 37.71 84.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.642 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.71 122.08 21.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.74 -56.17 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 m -146.43 155.94 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tpt -171.13 -65.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.66 124.33 9.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.6 177.35 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -131.51 119.04 20.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -166.52 92.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.3 t -130.04 151.17 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 37.3 p90 -159.42 148.65 18.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -87.98 153.41 24.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.98 132.47 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HB3' ' C ' ' A' ' 115' ' ' GLY . . . -105.13 156.75 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -143.76 138.39 8.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.52 120.56 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.06 124.65 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.53 -144.85 8.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -158.68 162.62 37.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.451 ' OD1' ' ND2' ' A' ' 163' ' ' ASN . 4.0 m-20 -115.69 116.62 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.25 85.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 14.2 ptt? -66.43 153.0 43.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 158' ' ' GLU . 8.7 tp -103.73 -34.71 8.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.7 t30 76.94 0.37 3.08 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.694 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLU . . . . . 0.559 ' HB3' HD23 ' A' ' 156' ' ' LEU . 22.0 tp10 -85.53 -47.99 9.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.125 0.488 . . . . 0.0 110.405 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -142.89 -35.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.828 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.92 -173.98 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.517 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.9 173.47 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.13 138.93 54.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.866 0.365 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 153' ' ' ASP . 0.1 OUTLIER -119.38 132.92 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.3 mtt -148.9 123.63 9.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.85 179.54 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 198' ' ' VAL . 31.1 t -97.1 123.6 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.415 ' CH2' HG21 ' A' ' 62' ' ' VAL . 62.4 t-105 -96.49 146.93 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.992 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -147.54 126.7 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.7 ptm -148.86 111.13 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.05 90.98 2.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.8 108.78 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -69.74 136.01 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.7 t -113.62 140.69 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.61 148.42 41.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -130.32 -62.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.6 p -81.9 155.53 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.89 175.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -82.21 143.9 31.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 177.97 -126.41 1.08 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -51.07 131.83 36.39 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.465 2.11 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 14.8 t -87.84 149.09 24.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -170.5 34.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.8 tp -98.31 152.45 19.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -114.14 -104.6 2.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 12.0 m 41.61 69.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.921 0.391 . . . . 0.0 111.824 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -136.3 170.2 16.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -95.12 165.08 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 189' ' ' LYS . 8.7 t -136.16 -47.44 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' LYS . . . . . 0.435 ' N ' HG23 ' A' ' 188' ' ' THR . 1.1 mmtm -142.96 -71.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.0 p -109.65 -24.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.7 t0 65.83 -169.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.6 p -58.15 137.45 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.087 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -76.06 -47.9 22.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 18.9 t -146.39 139.6 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.64 153.88 73.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.45 145.45 36.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.567 2.178 . . . . 0.0 112.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -113.31 156.38 23.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.4 t -135.69 146.13 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.11 127.9 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.0 ttt -121.9 141.89 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.04 133.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.54 -161.05 10.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.592 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.96 165.73 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.14 167.64 25.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.535 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.401 ' N ' HD21 ' A' ' 161' ' ' LEU . 44.4 t80 -154.64 140.05 17.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.5 ' CD ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -129.78 141.01 50.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.62 144.63 39.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.19 116.25 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.13 -32.15 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.802 0.334 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -117.11 -58.61 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -172.84 159.07 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.3 138.0 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.58 5.27 88.54 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.72 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 123.17 8.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.087 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -100.18 112.92 25.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 205' ' ' TYR . 6.5 mt -119.67 140.97 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 205' ' ' TYR . 1.6 pt -94.72 117.64 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.352 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -108.01 159.4 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.762 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.97 138.15 3.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.17 174.42 34.72 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.579 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.19 121.0 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.0 106.7 13.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 46.4 p -100.88 77.63 1.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.37 125.29 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -162.49 139.01 5.9 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.15 158.18 45.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.499 2.133 . . . . 0.0 112.192 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -94.75 44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -74.71 -31.45 61.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -115.46 -169.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -159.85 -66.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -158.04 31.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.48 -179.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -119.4 -44.59 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 25' ' ' ILE . 3.6 pttt -93.45 166.18 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.9 166.24 12.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.82 111.04 23.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.54 -177.05 21.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.16 -44.06 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -99.14 31.41 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -132.83 149.29 52.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.46 147.54 27.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.4 144.03 18.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.57 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -156.18 133.68 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.94 172.22 13.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.3 30.68 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -160.34 89.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.46 -45.95 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.08 112.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.6 p -89.38 83.21 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -140.64 32.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.6 m -101.09 -19.06 15.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -53.11 146.84 10.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.803 0.335 . . . . 0.0 111.081 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.536 ' H ' HD23 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -67.99 163.72 21.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.77 17.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.566 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.1 159.57 20.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 61' ' ' LEU . 5.6 m -158.03 139.8 13.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.543 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -90.17 163.61 14.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.154 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 m -146.29 135.76 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 111.814 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.69 85.8 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.025 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 8' ' ' ILE . 6.5 ptt? -86.88 140.49 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 112.045 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -105.31 139.37 40.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.251 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.97 101.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 99' ' ' TYR . 25.2 t0 38.06 38.55 0.2 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.624 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -122.66 -58.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.227 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.743 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 4.4 p-90 -168.13 -166.48 0.72 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.759 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -166.23 142.32 7.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.561 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.743 HG22 ' CZ3' ' A' ' 57' ' ' TRP . 21.6 t -102.97 152.15 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' C ' HD12 ' A' ' 61' ' ' LEU . 14.3 pt-20 -144.01 133.56 23.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 48' ' ' THR . 7.0 mp -131.96 119.15 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.8 t -90.88 141.5 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.279 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.42 121.65 2.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.91 171.61 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.0 m -136.34 136.11 21.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.87 -37.34 20.38 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.462 2.108 . . . . 0.0 112.278 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 t80 63.51 62.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -99.92 31.11 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.17 179.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.801 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 41.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.71 83.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' OD1' HG23 ' A' ' 73' ' ' VAL . 8.5 t0 -71.96 103.93 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 74' ' ' LYS . 20.4 t 60.42 158.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.477 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.86 62.0 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.677 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.19 -75.25 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mp -111.21 116.88 31.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.58 75.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.418 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.29 126.87 13.43 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.581 2.187 . . . . 0.0 112.274 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.517 ' O ' HD12 ' A' ' 80' ' ' LEU . . . 165.93 41.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -163.98 31.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -132.62 93.49 3.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.04 73.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -95.97 99.13 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 84' ' ' LEU . 5.7 mp 60.73 99.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.5 -68.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.17 -57.29 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.0 pt -129.77 164.87 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -71.29 88.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.46 -59.96 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.09 137.87 53.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.754 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.23 134.8 58.04 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.487 2.125 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.92 137.78 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.685 HG22 ' CD1' ' A' ' 95' ' ' LEU . 2.9 m -117.09 132.07 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.643 HD12 ' CD2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -130.6 119.6 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.685 ' CD1' HG22 ' A' ' 93' ' ' THR . 6.1 mp -133.65 147.48 51.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.632 HD12 ' N ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -123.03 117.65 25.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.696 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 9.0 pm0 -102.03 153.12 20.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.433 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 8.2 p90 -129.89 145.46 51.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' CG ' ' O ' ' A' ' 99' ' ' TYR . 1.7 p90 -142.17 84.28 11.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.43 -32.92 3.54 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.608 2.206 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.58 -27.01 34.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.27 161.13 50.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.45 -7.6 4.98 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.729 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 106' ' ' SER . 9.6 t -84.85 -170.6 3.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.47 19.16 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.433 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.707 ' H ' HG23 ' A' ' 104' ' ' THR . 1.4 t -61.84 139.64 58.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.38 97.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.223 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -92.56 148.07 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -114.24 91.37 23.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.733 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.27 149.14 56.8 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.533 2.155 . . . . 0.0 112.392 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 20.2 m-85 -156.25 137.88 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.3 136.73 5.55 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -177.55 -164.58 31.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.738 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.09 -178.92 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -170.73 -164.89 27.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.648 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.93 139.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ASN . . . . . 0.596 ' OD1' HG23 ' A' ' 93' ' ' THR . 1.3 m-20 -115.31 118.44 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -121.8 128.18 51.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 t -145.54 134.33 22.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 t -100.17 143.29 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.64 146.32 41.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.49 148.9 33.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -154.01 51.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.95 133.65 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.1 -39.0 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.37 162.26 13.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.08 141.9 55.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.9 t -135.7 174.17 10.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -100.6 109.26 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -80.54 -31.62 36.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -27.3 60.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.54 -40.16 74.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.212 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -33.93 54.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.37 45.05 96.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -121.19 124.05 43.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -35.8 62.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.985 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.84 170.49 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 23.2 mtp -74.07 167.94 20.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.79 -48.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -22.29 59.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.46 167.78 0.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -117.3 -69.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.8 m -153.79 125.63 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -164.98 123.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -135.95 -162.89 9.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.581 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.48 163.45 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -132.3 -176.27 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.84 150.04 21.47 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.59 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLU . . . . . 0.56 ' HB2' HD22 ' A' ' 95' ' ' LEU . 3.9 tm-20 -149.92 117.01 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.46 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 1.2 mt -147.04 130.46 16.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -179.39 -147.13 7.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.734 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -153.25 135.07 14.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 163' ' ' ASN . 21.7 m-20 -93.55 123.8 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -107.74 85.5 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.587 ' HB3' HD23 ' A' ' 161' ' ' LEU . 3.0 ptt? -74.6 141.41 44.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.812 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 tp -95.35 -35.61 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 76.42 -1.14 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.553 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -46.42 10.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.11 -35.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.52 -174.32 4.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.647 HD12 ' N ' ' A' ' 161' ' ' LEU . 1.0 OUTLIER -119.07 169.02 10.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 15.2 m-85 -122.82 142.47 50.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 153' ' ' ASP . 10.0 p30 -139.91 112.35 7.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.614 ' HG2' HG22 ' A' ' 201' ' ' ILE . 2.5 mtt -130.08 138.2 50.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.46 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -157.48 178.4 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 198' ' ' VAL . 14.3 p -96.98 123.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -93.96 140.53 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.89 122.61 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 24.9 ttt -123.85 100.73 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -126.26 93.91 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.6 pt -77.01 122.28 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.67 111.49 15.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.3 p -104.21 146.45 28.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.15 143.5 28.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -148.95 167.37 25.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.63 100.48 9.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 10.7 pt -79.97 159.19 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -107.65 111.89 24.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.796 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 155.59 69.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.94 -55.12 2.14 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.664 2.243 . . . . 0.0 112.195 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 70.5 m -138.95 31.27 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -138.51 -179.89 6.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 2.3 pp -144.7 139.51 27.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 95.96 91.18 1.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.519 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 18.2 m -97.02 44.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.402 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 61.65 19.18 10.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.75 143.98 0.19 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.51 146.23 36.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -154.55 149.58 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -167.12 145.26 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.61 172.89 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 192' ' ' VAL . 15.6 m -141.57 115.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -138.77 97.98 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 194' ' ' VAL . 10.8 p -138.74 112.73 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.52 150.71 37.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.63 61.89 2.91 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.593 2.195 . . . . 0.0 112.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 17.3 m0 59.22 170.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 166' ' ' VAL . 21.4 t -129.32 153.13 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.041 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -127.88 131.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -132.28 158.25 42.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.614 HG22 ' HG2' ' A' ' 164' ' ' MET . 2.5 pp -135.69 133.78 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -144.18 -175.67 17.52 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -121.89 163.68 18.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.57 166.46 29.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.634 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 205' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 8' ' ' ILE . 6.5 t80 -156.11 121.3 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.496 ' HD3' HD21 ' A' ' 161' ' ' LEU . 6.0 pttp -87.46 140.92 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.002 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.35 150.42 28.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 209' ' ' GLU . 1.6 tt -134.91 125.88 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 209' ' ' GLU . . . . . 0.465 ' N ' HD23 ' A' ' 208' ' ' LEU . 0.6 OUTLIER -92.5 -42.3 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -86.0 90.1 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -132.8 -176.61 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . . . -63.7 149.66 46.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 0.36 75.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.811 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.46 129.06 37.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -119.22 125.12 48.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.769 HG22 ' HA ' ' A' ' 206' ' ' LYS . 21.8 pt -130.1 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -100.08 118.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 177.34 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.51 -166.12 15.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.27 152.46 6.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.586 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -80.03 151.22 30.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.43 -177.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -143.44 114.22 7.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.909 HG12 ' HD2' ' A' ' 18' ' ' PRO . 3.0 t -97.86 145.76 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -57.6 -63.07 4.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.972 -179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.909 ' HD2' HG12 ' A' ' 16' ' ' VAL . 56.7 Cg_endo -70.37 160.16 50.48 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.433 2.089 . . . . 0.0 112.288 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -172.68 -53.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -108.02 -48.74 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.4 m -59.68 -70.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 t -63.91 90.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.667 ' OG ' HD11 ' A' ' 25' ' ' ILE . 40.2 t -161.02 -46.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.0 95.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.667 HD11 ' OG ' ' A' ' 23' ' ' SER . 3.6 mp -126.53 -69.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 tttp 53.15 37.16 24.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mt -176.58 127.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -138.89 105.28 5.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.93 -129.7 3.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.562 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.38 162.67 27.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.7 89.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -141.03 122.72 15.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -80.66 148.85 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' THR . . . -177.82 37.64 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.523 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -161.57 35.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -92.89 131.93 37.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.59 30.86 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 p 56.14 104.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.44 -29.78 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 62.22 174.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.3 t -158.19 36.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -172.35 121.1 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -106.81 -46.7 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.33 125.22 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.8 mm? -96.7 149.58 21.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.61 130.95 10.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.08 142.75 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.637 HG23 HG22 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -130.11 175.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.98 113.7 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.76 140.56 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.46 100.71 5.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.7 mtp -75.01 124.94 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -115.4 172.3 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' CA ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.12 154.46 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.742 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.47 -60.27 0.4 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.002 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.09 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.535 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -100.27 142.21 32.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.043 -179.828 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.75 120.45 1.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.87 113.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -102.0 145.03 29.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -146.63 108.85 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 48' ' ' THR . 21.6 t -90.84 138.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.276 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.02 138.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.16 148.02 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.9 t -76.12 140.45 69.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.61 -40.18 1.15 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.54 2.16 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -145.49 108.67 4.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -147.87 105.21 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -115.67 -40.48 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -122.45 132.92 54.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 m -98.47 30.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -116.22 -39.04 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.46 149.16 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.33 -33.36 9.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.61 137.14 2.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.58 160.35 36.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.05 117.26 5.39 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.395 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.55 -42.14 57.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.414 2.076 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.19 41.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.31 158.48 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.32 138.43 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.27 148.22 7.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.558 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.672 ' HD2' ' HB2' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -109.49 -29.06 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.327 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 tp 63.12 38.92 10.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.672 ' HB2' ' HD2' ' A' ' 83' ' ' LYS . . . -66.6 112.49 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -164.57 173.22 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 tp -163.85 137.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -163.85 129.77 3.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.3 164.53 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.1 mp -99.64 163.03 19.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.618 ' HG3' HG22 ' A' ' 119' ' ' THR . 54.2 Cg_exo -52.13 137.4 54.33 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.523 2.149 . . . . 0.0 112.364 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.43 33.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.411 HG22 HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.54 111.8 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.013 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -105.02 117.47 34.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.636 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.2 mt -126.17 152.96 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.5 mt -126.07 117.2 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.565 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -113.05 170.58 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -141.77 145.61 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.731 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 5.5 p90 -128.34 87.42 55.29 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.28 -45.26 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.59 2.193 . . . . 0.0 112.241 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.5 mmm -77.5 -27.07 51.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.56 144.84 36.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.54 43.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.206 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.86 -170.75 3.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -85.44 19.08 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.462 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -74.64 163.41 27.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 -27.67 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -81.48 118.01 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -108.07 82.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.68 155.2 54.43 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -168.92 149.41 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.41 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -153.17 155.21 26.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.594 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 160.11 -166.22 35.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.575 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -140.94 -179.01 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.779 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.49 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -158.52 -167.15 18.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.697 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.0 m -140.5 148.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -106.93 115.52 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -122.2 138.12 54.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 91' ' ' PRO . 43.2 p -100.91 128.35 46.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.24 99.43 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -129.42 138.77 51.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -83.18 139.71 32.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.54 155.59 18.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.54 118.5 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.98 -40.3 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.64 -31.44 70.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.02 145.92 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.84 31.37 6.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -88.31 -30.48 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -52.62 59.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -58.97 -28.3 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.2 68.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -62.92 -30.95 71.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.74 45.03 23.61 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -99.54 170.39 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.3 m -75.05 -59.01 2.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.045 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.45 152.27 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.6 ttp -103.68 -54.93 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.7 tttp 60.96 109.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.671 HD23 ' N ' ' A' ' 141' ' ' GLN . 1.2 tt -64.02 161.53 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLN . . . . . 0.671 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.5 OUTLIER 61.71 93.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.448 ' OD1' HG21 ' A' ' 173' ' ' THR . 0.6 OUTLIER -150.04 -50.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.5 t -80.77 100.05 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -164.22 121.03 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -142.57 -168.13 11.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.656 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' LEU . . . . . 0.822 ' O ' HD12 ' A' ' 146' ' ' LEU . 1.8 pp -130.81 137.21 49.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.578 ' HB1' ' HE1' ' A' ' 167' ' ' TRP . . . -113.51 153.24 29.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' ' 168' ' ' TYR . . . -116.56 159.37 13.96 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.647 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -156.01 118.35 4.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.457 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 7.2 mt -155.06 125.23 6.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.05 -144.97 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.563 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -149.14 161.61 41.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.913 0.387 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -112.11 144.74 40.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.836 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' TYR . . . . . 0.449 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.6 OUTLIER -120.01 85.2 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.431 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' MET . . . . . 0.632 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.7 ptt? -79.75 146.11 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.05 -28.68 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.9 t30 75.86 3.96 3.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.669 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -48.05 9.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.135 0.493 . . . . 0.0 110.484 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -138.49 -36.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.7 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -165.88 -172.94 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -117.2 173.18 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -119.34 149.98 40.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.32 121.1 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.637 ' HG2' HG22 ' A' ' 201' ' ' ILE . 3.1 mtt -132.54 118.79 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.714 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -156.59 -178.36 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.72 142.07 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' TRP . . . . . 0.578 ' HE1' ' HB1' ' A' ' 147' ' ' ALA . 3.7 t90 -115.96 111.75 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' TYR . . . . . 0.427 ' CD1' ' HA3' ' A' ' 148' ' ' GLY . 23.4 m-85 -77.89 137.89 38.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 161.31 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.53 167.03 10.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 7.7 mt -87.74 126.51 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -123.34 146.24 48.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' THR . . . . . 0.448 HG21 ' OD1' ' A' ' 142' ' ' ASP . 81.7 p -68.27 129.25 39.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.28 175.5 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -127.53 156.52 42.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.4 m 60.55 179.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.7 pt -125.98 148.62 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -89.6 132.68 34.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -169.9 -61.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.2 142.56 45.39 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.584 2.189 . . . . 0.0 112.265 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.5 m -82.39 -44.65 15.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -110.64 164.81 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -177.41 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -147.47 170.19 28.29 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.96 97.92 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -132.01 -49.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.34 31.45 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.7 t -160.22 124.66 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -119.12 -42.79 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 190' ' ' VAL . 12.1 p -105.83 113.69 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.08 157.94 19.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 3.6 m -106.9 81.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.28 90.94 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 194' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 194' ' ' VAL . 14.8 p -109.7 38.69 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.33 85.68 1.72 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 196' ' ' PRO . . . . . 0.666 ' HG2' HG13 ' A' ' 198' ' ' VAL . 96.7 Cg_endo -79.77 3.34 7.65 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.639 2.226 . . . . 0.0 112.837 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 66.81 62.08 0.51 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 110.745 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 198' ' ' VAL . . . . . 0.666 HG13 ' HG2' ' A' ' 196' ' ' PRO . 9.4 m -83.91 105.87 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -145.78 138.77 25.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.88 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.637 HG22 ' HG2' ' A' ' 164' ' ' MET . 1.6 pt -142.85 113.5 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -129.33 -161.41 10.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.6 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -121.81 167.46 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -152.45 145.31 12.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.532 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -134.35 131.18 38.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 206' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -97.4 133.83 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.16 153.35 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 18.7 tp -107.69 149.97 27.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -92.28 153.75 19.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.927 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.796 0.331 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.39 -171.29 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.535 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -78.79 141.34 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.06 1.98 58.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.782 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.2 136.25 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -99.86 123.2 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.523 HD11 ' CG2' ' A' ' 50' ' ' THR . 1.7 pt -142.46 130.24 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.494 HD13 ' HB2' ' A' ' 205' ' ' TYR . 3.5 mp -97.67 141.59 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.18 104.7 9.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.12 171.51 25.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.413 179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.9 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . 177.13 161.97 26.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 tp -153.67 142.9 21.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.805 HG22 ' HA ' ' A' ' 62' ' ' VAL . 30.6 p -137.01 152.34 50.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.6 109.46 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.523 ' CG2' HD11 ' A' ' 8' ' ' ILE . 27.7 m -103.67 144.47 31.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.09 97.91 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 129.64 42.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.08 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.7 t80 -117.55 168.38 10.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.535 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -54.81 157.74 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.059 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER 78.66 -63.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.603 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.71 41.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.449 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 23.7 m0 -106.98 168.88 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.149 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.1 130.5 1.94 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 96' ' ' LEU . 28.9 t -101.94 112.02 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -112.28 139.14 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 94' ' ' LEU . 6.5 tt -120.17 129.22 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.604 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.805 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.7 t -90.78 129.83 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.08 129.42 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.508 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo . . . . . 0 C--O 1.231 0.167 0 CA-C-O 120.875 0.281 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.09 134.82 47.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -130.35 128.49 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 61' ' ' LEU . 8.1 mt -118.69 125.27 49.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.37 137.69 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' CD2' HG22 ' A' ' 59' ' ' VAL . 46.3 mt -91.78 132.08 36.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.716 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -102.05 143.78 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -126.14 126.45 44.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -106.4 78.51 0.53 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.204 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.61 -46.15 1.4 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.194 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -27.08 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.0 112.23 4.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 104' ' ' THR . . . 155.6 57.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.255 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -171.12 -170.72 0.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.838 0.351 . . . . 0.0 110.63 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.67 19.25 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.0 t -64.61 142.58 58.37 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.86 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.499 ' CZ ' ' CD2' ' A' ' 154' ' ' TYR . 12.3 m-85 -89.54 139.11 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -110.83 85.16 4.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.784 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 59.1 Cg_endo -71.94 149.33 53.07 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.599 2.199 . . . . 0.0 112.405 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -155.77 142.99 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.79 144.8 12.64 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.582 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.54 -166.17 28.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 177.27 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.42 -165.03 32.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.4 157.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.584 ' HA ' HG23 ' A' ' 93' ' ' THR . 24.2 t-20 -113.91 136.15 53.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.992 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 179.911 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.99 120.21 23.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.07 151.4 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.87 152.72 22.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 167' ' ' TRP . 0.0 OUTLIER -145.72 117.24 8.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.35 118.38 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -166.25 -144.91 4.26 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.767 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 16.7 m-85 -136.15 176.98 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -140.19 117.52 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -112.18 85.68 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.008 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.487 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.8 ptt? -84.62 152.8 23.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.7 -28.15 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.06 4.33 4.22 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.536 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.39 -48.11 9.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.428 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -135.14 -35.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -163.97 -173.04 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.604 HD12 HD21 ' A' ' 163' ' ' ASN . 0.2 OUTLIER -116.85 163.94 15.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -110.82 134.42 52.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.604 HD21 HD12 ' A' ' 161' ' ' LEU . 3.4 m-80 -128.21 111.33 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -123.54 124.57 43.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.64 170.86 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.467 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 198' ' ' VAL . 33.3 m -96.93 129.29 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.776 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.469 ' O ' HG11 ' A' ' 198' ' ' VAL . 0.1 OUTLIER -114.73 142.18 46.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.66 153.54 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.738 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 103.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 166' ' ' VAL . 28.5 t . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.768 0.318 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.74 140.21 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.48 143.29 47.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 201' ' ' ILE . 2.7 pp -134.85 147.91 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.41 -165.53 22.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -122.0 -178.09 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.673 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -154.66 164.41 31.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.494 ' HB2' HD13 ' A' ' 9' ' ' ILE . 5.5 m-85 -135.99 143.11 44.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -105.49 113.99 27.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -147.46 138.38 23.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -78.99 115.95 18.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.58 5.14 34.27 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.818 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.04 126.9 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -89.93 121.03 31.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.506 HG23 ' HA ' ' A' ' 206' ' ' LYS . 22.0 mt -133.29 142.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.414 ' CG1' ' CE1' ' A' ' 49' ' ' PHE . 3.7 mp -106.22 135.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.59 102.07 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.57 -168.46 44.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.581 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.7 mp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.465 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -86.19 142.95 19.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 144.37 49.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -137.18 145.51 43.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' CG1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -123.39 108.93 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 t -102.85 149.11 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.296 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -123.16 92.23 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.01 131.41 48.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 15.5 t80 -117.98 162.84 17.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -58.25 161.59 4.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.75 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.93 -61.05 0.36 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.012 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.77 40.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.603 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.7 m-90 -107.76 162.59 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.967 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.16 146.18 9.41 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.458 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.56 111.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.795 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.98 149.38 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 48' ' ' THR . 5.8 mp -130.66 129.47 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.728 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 t -95.12 135.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.276 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 130.05 2.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.207 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 N--CA 1.464 -0.222 0 CA-C-O 120.809 0.254 . . . . 0.0 112.414 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.52 110.58 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.0 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -87.69 137.68 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.14 127.16 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.637 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 115' ' ' GLY . 0.6 OUTLIER -132.56 134.41 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.234 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.94 124.48 33.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.56 137.02 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.437 ' HH ' ' HE1' ' A' ' 57' ' ' TRP . 20.5 m-85 -136.69 144.15 43.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.663 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -117.05 83.27 14.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.28 -52.12 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.757 2.304 . . . . 0.0 112.504 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.418 ' HE3' ' HB3' ' A' ' 110' ' ' PRO . 5.5 ptt? -120.19 33.05 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.69 114.51 3.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.343 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.23 43.1 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.262 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 p -135.03 -170.41 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.768 0.318 . . . . 0.0 110.432 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.3 19.24 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.359 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 p -82.09 130.14 35.0 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 110.799 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.53 -62.95 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' A' ' 108' ' ' PHE . 12.7 p90 -70.94 119.76 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 107.14 17.81 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.168 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HB3' ' HE3' ' A' ' 101' ' ' MET . 59.6 Cg_endo -71.94 153.18 58.12 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.445 2.097 . . . . 0.0 112.016 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.512 ' OH ' ' HB2' ' A' ' 165' ' ' ALA . 15.1 p90 -163.61 146.28 9.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 98' ' ' TYR . . . -153.93 155.05 25.92 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.243 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.32 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.667 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.3 -178.89 3.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 95' ' ' LEU . . . -157.94 171.23 34.94 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.762 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.3 p -155.06 147.67 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -110.81 127.47 55.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.35 -0.3 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -174.55 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.007 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.03 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -136.33 157.18 23.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.873 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.06 116.84 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.538 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 4.3 mp -149.82 133.32 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.47 -144.89 7.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.617 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -146.16 129.39 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -96.69 113.99 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 3.1 t80 -104.0 85.67 2.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.394 . . . . 0.0 111.217 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.538 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -76.66 142.46 40.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.948 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -31.87 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.96 -0.43 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.803 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.54 -48.0 9.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -134.41 -36.87 0.87 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.721 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -161.14 -173.04 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.787 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.9 pp -116.81 170.53 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -122.82 129.33 51.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -120.53 122.78 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.402 ' HG3' ' CG1' ' A' ' 201' ' ' ILE . 0.3 OUTLIER -137.68 117.13 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.65 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.538 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -156.18 176.04 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.452 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.797 HG12 ' HB3' ' A' ' 199' ' ' TYR . 32.7 m -96.84 116.62 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.74 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.4 110.21 22.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.47 128.46 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.81 163.96 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.0 p30 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.088 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.898 0.38 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.797 ' HB3' HG12 ' A' ' 166' ' ' VAL . 2.3 p90 -145.83 143.09 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.99 155.74 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 201' ' ' ILE . 3.0 mp -120.28 147.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -147.47 -167.1 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.562 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.4 150.57 28.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.721 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -155.23 -157.01 8.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.437 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -137.97 146.64 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.506 ' HA ' HG23 ' A' ' 8' ' ' ILE . 17.0 tttm -105.07 135.27 46.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.892 0.377 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -156.09 -177.57 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -85.14 139.77 31.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' CE1' ' A' ' 7' ' ' PHE . . . 102.11 -1.98 51.18 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.756 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.94 150.37 29.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 5' ' ' GLY . 19.0 m-85 -119.01 115.45 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 205' ' ' TYR . 3.9 mp -124.9 128.18 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.747 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.9 mt -96.51 106.47 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.226 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HA ' ' HA2' ' A' ' 204' ' ' GLY . 0.4 OUTLIER -96.53 160.32 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.711 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 203' ' ' PHE . . . -149.92 -162.38 10.44 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.606 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.438 ' HA2' ' HA2' ' A' ' 202' ' ' GLY . . . . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.535 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.542 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.1 mm? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.813 0.339 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.436 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -75.03 143.12 30.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.361 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.747 HD21 ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -131.0 144.96 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.278 . . . . 0.0 110.734 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.877 HG22 ' HA ' ' A' ' 62' ' ' VAL . 70.3 p -140.3 157.88 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.5 120.32 38.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.85 127.4 53.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -109.93 86.49 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.75 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.99 130.43 46.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.425 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -113.73 -176.46 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -54.14 153.42 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.066 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.9 -61.56 0.49 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.824 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER 164.61 39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.968 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CE2' ' HB3' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -83.82 -174.86 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.632 179.778 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 121.42 0.57 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.597 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.917 HG22 HD23 ' A' ' 96' ' ' LEU . 22.1 t -101.72 111.75 32.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.854 0.359 . . . . 0.0 110.671 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.22 140.86 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 ' HG ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -127.29 132.72 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.641 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.877 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.4 t -91.32 125.53 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.15 131.08 2.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 111.216 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 C--O 1.231 0.148 0 CA-C-O 120.832 0.263 . . . . 0.0 112.273 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -142.27 104.95 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.1 m -101.72 146.15 28.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.479 ' HG ' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.79 148.13 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 149' ' ' GLU . 4.5 tt -159.2 123.95 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.38 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.917 HD23 HG22 ' A' ' 59' ' ' VAL . 1.4 mt -91.96 115.71 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.392 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -101.97 149.96 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 57' ' ' TRP . 25.8 p90 -150.09 138.61 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.605 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' A' ' 56' ' ' LYS . 36.0 p90 -49.2 106.55 0.64 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.06 -47.36 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.397 2.065 . . . . 0.0 112.23 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 26.3 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.98 117.71 5.76 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.16 44.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.246 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -170.58 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.612 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -84.47 19.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.448 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 52.9 p -79.04 135.98 37.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.842 0.353 . . . . 0.0 110.807 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.83 -32.65 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 106' ' ' SER . 24.6 p90 -73.22 151.7 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -100.53 96.98 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.04 137.47 41.06 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.451 2.101 . . . . 0.0 112.235 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.79 138.02 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.818 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -152.86 150.3 22.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.386 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.83 -164.85 36.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.744 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.56 179.31 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.718 0.294 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -179.2 -164.98 32.72 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.69 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 117' ' ' ASN . 33.1 t -113.32 154.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.773 0.32 . . . . 0.0 111.037 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 116' ' ' VAL . 1.6 t-20 -120.91 128.57 52.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.81 122.36 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 156.51 17.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.08 138.27 10.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.719 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.634 ' HG3' HD13 ' A' ' 95' ' ' LEU . 56.0 mt-10 -134.69 116.86 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.818 HD23 ' HA3' ' A' ' 112' ' ' GLY . 4.6 mt -144.68 130.97 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 173.49 -145.02 8.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.69 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -142.2 169.48 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.28 115.16 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 8.9 t80 -104.74 85.66 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.144 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.542 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 7.4 ptt? -65.61 148.35 51.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.87 -36.98 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.9 t30 78.66 -2.51 2.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.724 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.32 -48.08 9.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.097 0.475 . . . . 0.0 110.473 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.81 -36.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.701 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -164.77 -172.95 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.631 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.9 pp -116.94 166.77 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.974 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -108.45 137.21 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 111.009 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.73 111.23 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.9 ttp -128.75 138.28 52.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.55 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -168.8 176.96 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 199' ' ' TYR . 35.2 m -96.92 117.7 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -92.72 110.51 21.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.46 128.31 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -68.89 148.56 50.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 166' ' ' VAL . 31.5 m . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.77 0.319 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.557 ' CD1' HG12 ' A' ' 166' ' ' VAL . 6.5 m-85 -124.32 144.91 49.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.88 128.27 40.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mt -105.07 144.45 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . 0.438 ' HA2' ' HA2' ' A' ' 12' ' ' GLY . . . -157.99 -167.76 19.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.653 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 11' ' ' GLY . 42.2 p90 -121.94 176.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.462 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -159.86 171.91 36.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.623 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 8' ' ' ILE . 11.0 t80 -155.26 153.13 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.46 129.8 55.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . 0.626 ' CD2' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.831 0.348 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -163.77 165.7 22.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -73.76 116.6 14.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.418 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 106.7 5.25 36.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.839 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.503 ' OD2' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -59.66 123.68 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.23 109.45 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.503 HD11 ' OD2' ' A' ' 6' ' ' ASP . 3.0 mp -131.9 117.62 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.37 132.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.03 164.49 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.33 138.31 2.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.55 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.773 0.32 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.58 142.53 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mp -122.18 151.05 41.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -148.39 143.3 26.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -113.73 117.39 31.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.682 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.4 m -107.89 131.21 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 7.1 t80 -122.85 90.37 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 134.96 56.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -121.22 156.11 33.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -59.28 154.53 16.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.639 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 6.4 m-20 83.8 -60.84 0.11 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.312 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 159.79 43.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.414 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 30.2 m95 -127.92 -175.31 3.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.497 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.09 176.18 34.86 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.825 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.46 150.9 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.706 0.288 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -138.6 118.92 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -118.16 138.02 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.611 HG21 ' HE1' ' A' ' 167' ' ' TRP . 21.4 t -127.51 126.83 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.39 155.26 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.926 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo . . . . . 0 C--O 1.232 0.204 0 CA-C-O 120.799 0.25 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -159.08 146.99 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -119.81 135.23 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mp -128.17 124.01 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 115' ' ' GLY . 0.9 OUTLIER -138.1 154.61 49.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.42 150.79 19.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -101.75 144.74 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 57.5 t80 -150.0 125.51 10.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.2 p90 -132.58 90.26 33.65 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.796 0.331 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 98' ' ' TYR . 72.3 Cg_endo -77.13 -44.3 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.676 2.251 . . . . 0.0 112.258 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 73.0 mtm -102.84 28.44 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.14 131.89 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.71 43.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.214 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 -170.43 3.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -83.36 19.19 1.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.539 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -61.44 153.77 26.2 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.41 -52.83 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -96.7 146.71 24.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.75 87.6 22.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.3 148.8 68.85 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.507 2.138 . . . . 0.0 112.264 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.76 137.97 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.15 146.05 16.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.386 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.01 159.58 24.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.752 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.42 123.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.703 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.595 ' N ' HD23 ' A' ' 95' ' ' LEU . . . -161.65 -164.83 17.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.559 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.8 m -115.78 159.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 3.4 t-20 -130.86 126.9 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 118' ' ' TYR . 3.3 p90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.408 -0.277 . . . . 0.0 112.408 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.04 132.75 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 117' ' ' ASN . . . -117.31 151.55 36.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.52 156.16 27.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.18 136.14 18.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.436 HD23 ' C ' ' A' ' 150' ' ' LEU . 7.5 tt -145.78 126.74 14.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.402 ' N ' HD23 ' A' ' 150' ' ' LEU . . . -168.05 -144.99 4.37 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.88 152.47 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -121.42 122.9 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.696 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 41.9 t80 -106.52 85.16 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.001 0.429 . . . . 0.0 111.217 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.918 ' HB2' HD22 ' A' ' 161' ' ' LEU . 1.5 ptt? -66.51 140.36 57.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.828 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.28 -36.96 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.42 -4.27 2.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -85.37 -48.01 9.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.034 0.445 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -134.55 -35.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.626 ' C ' HD23 ' A' ' 161' ' ' LEU . . . -165.63 -172.91 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.918 HD22 ' HB2' ' A' ' 155' ' ' MET . 1.7 mt -117.0 169.3 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -113.21 138.87 49.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -131.73 110.33 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 87.8 mtp -130.75 126.89 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -163.86 164.54 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 198' ' ' VAL . 23.6 t -97.02 122.6 48.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.611 ' HE1' HG21 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -89.93 149.14 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -130.38 101.86 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.3 mtp -99.11 133.74 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.883 ' O ' HG13 ' A' ' 166' ' ' VAL . 6.8 m . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.863 0.363 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -146.13 141.18 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.44 ' CB ' ' CE3' ' A' ' 167' ' ' TRP . 3.3 tpt -130.43 123.53 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.9 tt -127.36 146.47 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.94 20.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -122.48 -178.78 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.63 148.22 19.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -136.54 138.96 41.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.312 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -109.02 141.04 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.4 m80 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.919 0.39 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.41 -173.1 2.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.507 ' HB2' ' H ' ' A' ' 54' ' ' ALA . . . -69.01 148.84 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.89 -2.06 66.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.749 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.414 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 0.4 OUTLIER -59.56 141.76 54.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -108.2 121.51 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 206' ' ' LYS . 11.8 pt -144.62 144.81 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.455 HD11 ' CE2' ' A' ' 205' ' ' TYR . 1.9 pp -113.96 145.67 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.249 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.562 ' NE ' HD11 ' A' ' 161' ' ' LEU . 12.6 mmt85 -131.39 112.56 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.92 -178.79 35.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 202' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.688 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.865 0.364 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.14 154.1 45.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.16 134.33 55.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.626 HG23 HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -114.73 136.07 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -101.04 116.04 31.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.2 146.03 31.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.34 107.04 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.703 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.414 ' HB2' ' CB ' ' A' ' 6' ' ' ASP . 16.6 mtt -69.75 127.89 34.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.2 m-85 -118.28 165.44 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.507 ' H ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.92 154.03 19.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.793 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.8 OUTLIER 79.4 -61.41 0.32 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.904 179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 162.37 44.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.958 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.407 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.2 m-90 -102.51 144.8 30.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.196 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.35 125.35 2.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.254 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.616 ' HA ' HD23 ' A' ' 96' ' ' LEU . 21.6 t -101.77 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.47 139.69 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD11 ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -136.81 107.62 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.382 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.626 HG12 HG23 ' A' ' 48' ' ' THR . 32.3 m -90.78 119.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 111.455 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.18 -175.32 3.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.973 179.866 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.969 0.32 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.0 148.81 22.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.669 HG23 ' HA ' ' A' ' 117' ' ' ASN . 86.9 m -132.54 143.81 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 94' ' ' LEU . 3.6 mp -115.64 143.13 45.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.759 HD13 ' HG3' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -149.46 142.95 25.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.153 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 59' ' ' VAL . 58.2 mt -118.53 111.15 18.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.244 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.82 153.18 20.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.422 . . . . 0.0 111.107 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 19.9 m-85 -122.59 140.36 52.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.752 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 p90 -123.77 87.3 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.35 -51.74 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.415 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.36 -27.05 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.55 118.44 14.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.377 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.66 44.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.202 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.667 HG23 ' H ' ' A' ' 106' ' ' SER . 10.2 t -144.48 -170.38 3.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 110.667 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.07 19.11 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.54 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.667 ' H ' HG23 ' A' ' 104' ' ' THR . 6.6 t -86.64 153.95 21.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.781 0.324 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.22 -30.33 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -77.37 131.48 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -128.34 90.35 47.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 152' ' ' PHE . 55.4 Cg_endo -70.19 146.5 57.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.611 2.208 . . . . 0.0 112.372 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.79 137.99 28.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.67 136.65 5.48 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.76 ' C ' HD22 ' A' ' 114' ' ' LEU . . . -179.15 -164.78 32.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.996 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.76 HD22 ' C ' ' A' ' 113' ' ' GLY . 4.3 mm? -133.57 -178.82 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 110.897 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.99 -164.89 32.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.715 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.39 143.82 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.669 ' HA ' HG23 ' A' ' 93' ' ' THR . 0.8 OUTLIER -108.91 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.04 140.76 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.1 151.88 33.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.564 ' HA2' HD21 ' A' ' 95' ' ' LEU . . . -152.68 148.23 18.84 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.759 ' HG3' HD13 ' A' ' 95' ' ' LEU . 8.8 mt-10 -145.74 121.41 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.23 118.74 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -175.29 -144.91 5.2 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.625 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 110' ' ' PRO . 29.2 p90 -150.53 149.4 29.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.092 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.51 114.95 29.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.705 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 89.0 t80 -99.02 85.69 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.585 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.1 ptp -71.11 144.61 50.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.407 HD22 ' CG ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -94.66 -34.45 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 t30 77.26 -0.94 2.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.407 ' CG ' HD22 ' A' ' 156' ' ' LEU . 11.2 mm-40 -85.44 -48.09 9.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 110.525 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -136.75 -35.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -161.48 -172.81 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.6 pp -116.95 168.77 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.748 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -118.76 142.99 47.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 111.108 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -125.6 117.44 23.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.64 128.52 42.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.5 175.02 8.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.89 126.21 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -99.31 136.71 38.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -129.11 139.42 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.0 112.34 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.086 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.768 0.318 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -137.64 154.07 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 4.0 tpt -114.03 127.52 55.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 201' ' ' ILE . 14.2 tt -147.09 114.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 12' ' ' GLY . . . -143.33 -167.15 11.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.68 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -160.48 131.56 5.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.195 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.557 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -144.31 -156.99 7.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.48 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.455 ' CE2' HD11 ' A' ' 9' ' ' ILE . 9.7 p90 -158.93 143.71 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.683 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -88.52 140.99 28.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 m170 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.849 0.357 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.11 -168.91 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.08 45.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.42 1.66 50.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.83 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 122.76 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.772 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -87.21 120.36 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 7' ' ' PHE . 27.7 mm -130.22 124.16 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 tt -99.55 150.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -135.38 149.38 49.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.75 138.73 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.838 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.561 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' A' ' 12' ' ' GLY . 9.2 tt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.34 137.39 13.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.551 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.03 128.54 56.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.345 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.699 HG23 ' C ' ' A' ' 61' ' ' LEU . 61.7 m -133.06 136.73 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -101.52 128.95 47.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.504 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -127.64 113.79 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.211 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.42 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 5.6 t80 -86.74 120.62 28.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.343 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.34 116.64 17.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.516 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 1.6 m-85 -102.67 168.87 8.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.9 150.23 2.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 74.29 -62.99 0.44 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 10.4 mttt 164.37 37.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.104 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.733 ' HZ2' HD23 ' A' ' 96' ' ' LEU . 4.3 t90 -99.4 179.02 4.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.701 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 166.19 165.18 23.12 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.405 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.53 112.2 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.79 131.39 42.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.083 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.699 ' C ' HG23 ' A' ' 48' ' ' THR . 6.2 tt -137.13 109.1 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 48' ' ' THR . 10.3 p -90.95 146.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.42 134.87 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo . . . . . 0 N--CA 1.465 -0.18 0 CA-C-O 120.753 0.23 . . . . 0.0 112.422 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.82 139.62 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 117' ' ' ASN . 87.0 m -135.23 130.74 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 95' ' ' LEU . 8.4 tt -126.42 154.96 42.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 94' ' ' LEU . 2.3 pp -162.97 149.23 12.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.733 HD23 ' HZ2' ' A' ' 57' ' ' TRP . 6.3 mp -96.78 124.58 40.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -107.18 125.3 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.457 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 40.7 p90 -131.4 137.76 48.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.558 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.541 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 38.8 p90 -56.33 106.41 0.67 Allowed Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.52 -52.23 0.28 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 111.92 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -121.93 -26.28 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.1 152.11 5.35 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.843 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.06 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.281 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p -152.46 -170.66 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.5 19.15 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.593 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.0 p -63.55 161.4 14.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.57 -57.9 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -70.98 153.21 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -113.58 90.91 19.03 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 111' ' ' TYR . 31.8 Cg_exo -58.24 161.85 13.02 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.598 2.199 . . . . 0.0 112.341 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 12.2 m-85 -166.18 138.01 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -151.96 157.85 27.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.33 -166.74 39.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.02 172.21 16.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.17 -164.93 28.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.23 140.0 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.436 ' HA ' HG23 ' A' ' 93' ' ' THR . 2.0 t30 -107.1 137.84 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.73 115.34 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 167.2 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -147.46 160.83 28.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.596 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -153.87 116.93 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.786 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.522 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 3.9 mp -143.92 133.5 23.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.28 -145.08 8.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -147.01 145.77 29.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.77 114.36 28.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -97.13 85.74 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.883 ' HB3' HD23 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -65.08 153.11 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -108.01 -41.33 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 78.81 -5.61 2.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.725 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.447 ' HB2' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -85.48 -42.74 14.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 110.551 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -143.05 -35.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.28 -172.98 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 155' ' ' MET . 2.0 mp -117.03 173.13 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.19 145.87 42.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -137.6 107.98 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.561 ' CG ' HG22 ' A' ' 201' ' ' ILE . 1.3 tmt? -125.81 126.18 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -161.32 176.44 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 198' ' ' VAL . 13.9 p -97.01 120.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -89.96 116.41 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.08 116.1 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.95 160.22 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 166' ' ' VAL . 15.3 m . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.783 0.325 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.26 148.57 29.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 143.73 51.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.561 HG22 ' CG ' ' A' ' 164' ' ' MET . 42.1 pt -138.46 151.18 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.12 -163.35 21.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -121.99 171.12 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.45 163.99 29.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.544 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.93 139.19 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 135.09 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.893 0.378 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -128.54 -167.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.562 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -83.98 125.8 32.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.71 2.3 27.23 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.82 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' HB3' ' A' ' 52' ' ' MET . 0.6 OUTLIER -71.6 148.75 46.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.783 0.325 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -121.45 112.52 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 8' ' ' ILE . 3.7 mp -115.97 130.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 tt -101.67 138.06 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.1 157.18 44.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.81 142.05 3.4 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.31 152.3 20.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.86 145.07 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.911 HG22 ' HA ' ' A' ' 62' ' ' VAL . 72.9 p -140.23 159.89 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 3.9 m-85 -125.27 116.47 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -96.59 146.46 24.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.41 90.39 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.401 ' HB2' HD11 ' A' ' 8' ' ' ILE . 12.3 tpt -60.67 127.03 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -112.58 178.68 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -56.63 153.06 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.863 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 78.54 -61.78 0.35 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.706 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 162.68 39.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.635 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.814 ' CD1' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -88.87 169.84 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.716 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.92 119.98 0.75 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.668 HG22 ' HG ' ' A' ' 96' ' ' LEU . 25.1 t -106.14 111.86 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -104.19 134.73 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 94' ' ' LEU . 1.1 tt -114.47 138.09 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.747 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.911 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.2 t -99.0 133.12 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.05 128.15 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.833 0.264 . . . . 0.0 112.241 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -134.65 135.73 42.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 116' ' ' VAL . 33.5 m -132.35 126.13 32.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 61' ' ' LEU . 4.2 mp -113.0 138.04 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -150.91 142.21 23.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.025 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.814 HD21 ' CD1' ' A' ' 57' ' ' TRP . 1.7 tt -112.92 119.71 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.486 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 1.1 pt20 -117.15 154.16 31.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.008 0.432 . . . . 0.0 111.148 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -115.86 144.54 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.815 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.36 97.11 6.9 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.46 -38.12 11.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.436 2.09 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -120.65 32.72 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -111.39 100.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.82 44.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.88 -170.73 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.575 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.08 19.19 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.418 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.1 m -70.02 -177.92 1.47 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.03 -57.3 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -83.94 137.98 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' CG ' ' HB3' ' A' ' 153' ' ' ASP . 4.1 pt20 -117.09 94.09 43.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.65 141.47 27.79 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -151.52 153.02 33.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.468 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.465 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -160.05 156.84 28.1 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.034 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . 175.25 -164.82 35.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.652 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -179.02 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.629 ' O ' HD13 ' A' ' 146' ' ' LEU . . . 177.83 -172.29 44.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 93' ' ' THR . 26.4 m -116.51 150.77 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.832 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 20.7 t-20 -131.33 126.09 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.76 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -97.54 126.55 42.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.832 ' HB2' ' HB2' ' A' ' 117' ' ' ASN . . . -109.34 162.99 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 168' ' ' TYR . . . -156.87 170.28 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.574 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.629 ' HB2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -156.09 132.86 10.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.465 HD23 ' HA3' ' A' ' 112' ' ' GLY . 1.9 mt -150.74 127.48 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 171.87 -144.93 8.38 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.608 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -160.94 156.92 25.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.402 ' HB3' ' CG ' ' A' ' 109' ' ' GLN . 10.1 t70 -109.96 114.61 28.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 29.1 p90 -105.53 94.66 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.583 ' HB3' HD23 ' A' ' 161' ' ' LEU . 7.3 ptt? -77.23 147.28 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 11.0 mp -89.85 -21.73 22.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.581 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 14.8 m-80 68.24 5.86 4.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -48.65 8.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.11 0.481 . . . . 0.0 110.477 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.66 -33.86 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.42 -172.22 4.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.828 0.347 . . . . 0.0 111.352 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 155' ' ' MET . 3.8 mp -116.0 163.47 15.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.402 ' CE1' HD11 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -118.3 130.77 56.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.915 0.388 . . . . 0.0 111.177 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.73 136.97 49.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.65 127.8 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.49 169.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 166' ' ' VAL . 33.6 m -96.89 120.72 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.97 112.61 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.406 ' HB2' ' N ' ' A' ' 148' ' ' GLY . 26.0 m-85 -77.9 111.65 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 44.8 mmm -68.84 162.67 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.893 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.825 0.345 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.57 143.43 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tpt -116.95 133.67 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.402 HD11 ' CE1' ' A' ' 162' ' ' PHE . 11.7 tt -124.47 127.61 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.09 -158.86 8.14 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -122.02 167.7 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.82 167.29 30.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.635 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.402 ' HA ' HD13 ' A' ' 161' ' ' LEU . 4.6 m-85 -147.02 134.25 20.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -88.07 133.52 33.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.937 0.399 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 174.7 9.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.04 133.93 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.56 5.25 48.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.837 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.65 128.78 38.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.01 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -101.2 104.94 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.3 mm -119.58 124.02 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -94.99 125.04 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.423 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -108.81 161.17 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 140.36 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.234 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.403 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.688 -179.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.806 0.336 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.46 146.0 18.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -118.48 144.9 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 10' ' ' ARG . 97.6 m -145.57 130.08 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -90.67 114.74 27.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.439 HG23 ' HG3' ' A' ' 60' ' ' GLU . 15.7 m -100.21 145.88 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.01 104.09 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.41 135.14 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -127.05 159.37 34.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.66 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.35 161.85 8.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 4.2 m-20 79.71 -58.94 0.36 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 159.81 39.15 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -101.78 140.93 35.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.159 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -148.5 120.01 1.14 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.481 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.47 117.29 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.8 mt-10 -125.26 118.65 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 94' ' ' LEU . 2.4 mt -115.05 119.71 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.441 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 95' ' ' LEU . 24.0 t -90.82 138.3 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.394 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 -174.93 3.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 -179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 N--CA 1.466 -0.136 0 CA-C-O 120.776 0.24 . . . . 0.0 112.293 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -148.16 108.97 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 117' ' ' ASN . 21.3 m -116.41 127.92 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.546 HD12 HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -108.67 145.25 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.634 ' CD1' HG23 ' A' ' 62' ' ' VAL . 3.2 mp -142.21 121.2 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 1.9 mt -91.95 136.09 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.437 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 111' ' ' TYR . 2.4 mm-40 -116.88 140.73 49.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.95 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -128.73 124.57 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 12.8 p90 -134.37 84.78 39.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.04 -51.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 0.0 112.643 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -123.41 -27.24 4.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.322 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.55 -113.52 4.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.77 44.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.253 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.595 HG21 ' HB2' ' A' ' 108' ' ' PHE . 20.4 p -147.33 -170.7 3.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.283 . . . . 0.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -83.63 19.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.552 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 75.61 9.86 3.51 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.536 0.208 . . . . 0.0 111.304 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.48 -32.65 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.604 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.595 ' HB2' HG21 ' A' ' 104' ' ' THR . 32.6 m-85 -99.37 153.53 18.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.08 80.4 0.51 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 108' ' ' PHE . 73.2 Cg_endo -73.95 156.1 47.88 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.623 2.215 . . . . 0.0 112.424 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CE1' ' OE1' ' A' ' 97' ' ' GLN . 5.8 p90 -163.29 146.19 10.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.43 139.75 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.305 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 96' ' ' LEU . . . -176.35 -164.65 30.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.715 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 mp -147.73 173.78 12.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 111.064 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -165.66 -164.83 21.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 118' ' ' TYR . 20.8 t -121.18 139.53 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.436 ' CB ' HG23 ' A' ' 93' ' ' THR . 55.8 t-20 -121.82 113.98 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.505 ' CE2' HG11 ' A' ' 116' ' ' VAL . 14.0 m-85 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.375 -0.29 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.43 134.63 45.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.59 170.52 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.337 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -140.37 151.91 22.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.446 ' CD ' HD22 ' A' ' 95' ' ' LEU . 2.3 tt0 -146.29 123.41 11.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.518 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 0.7 OUTLIER -149.82 125.88 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.775 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -172.33 -147.85 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 152' ' ' PHE . 0.7 OUTLIER -145.68 148.78 33.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.42 134.83 47.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.998 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -128.22 85.77 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.676 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.527 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -80.11 153.06 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.306 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.3 -27.88 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 74.04 4.35 4.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.29 -48.09 9.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 0.0 110.6 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.36 -35.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.757 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.42 -172.93 3.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.584 HD12 ' OD1' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -116.98 169.15 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -110.72 144.52 39.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 161' ' ' LEU . 2.9 m120 -140.72 114.13 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.712 ' CB ' HG22 ' A' ' 201' ' ' ILE . 4.8 ptm -133.75 145.8 50.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.518 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -169.05 178.58 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 198' ' ' VAL . 21.4 t -96.87 130.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -106.89 136.65 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.49 137.44 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.497 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -148.65 105.54 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 111.071 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.773 0.32 . . . . 0.0 111.06 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -125.52 142.47 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 6.5 ttp -125.86 149.24 48.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.712 HG22 ' CB ' ' A' ' 164' ' ' MET . 23.6 pt -127.49 160.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -169.12 -166.1 27.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.413 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -126.26 175.96 7.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -163.3 174.73 39.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.667 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -134.93 127.53 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -109.19 141.01 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.9 0.381 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 169.62 24.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.56 134.25 46.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.14 5.06 60.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.764 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.41 124.19 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -85.04 104.93 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -112.62 129.52 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.001 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 205' ' ' TYR . 12.6 pt -101.1 116.99 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.443 ' NH1' HG21 ' A' ' 50' ' ' THR . 0.3 OUTLIER -109.53 153.42 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.99 -161.99 9.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.867 0.365 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.12 147.63 19.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 pp -133.65 141.48 47.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.598 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' ' 62' ' ' VAL . 1.7 p -148.68 139.26 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.93 167.1 14.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.443 HG21 ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -154.33 113.53 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 111.435 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.538 ' HB2' HG12 ' A' ' 59' ' ' VAL . 4.9 m-85 -93.27 85.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.079 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.7 ttm -62.3 121.31 12.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.634 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.457 ' HB3' ' H ' ' A' ' 57' ' ' TRP . 3.0 t80 -98.82 127.63 44.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.26 94.78 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' ALA . 4.6 m-20 28.85 60.5 0.13 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.14 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.74 -36.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.487 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.457 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -157.54 -175.66 5.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.231 0.539 . . . . 0.0 111.72 -179.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.74 119.61 0.53 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.948 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 95' ' ' LEU . 12.4 p -107.2 141.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.262 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 50' ' ' THR . 0.5 OUTLIER -130.66 141.01 50.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.007 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.49 121.56 38.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.534 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.3 t -90.93 144.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.394 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.97 131.5 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.231 0.166 0 CA-C-O 120.891 0.288 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 118' ' ' TYR . . . -152.89 109.93 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -108.8 126.62 53.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -128.48 124.88 37.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.425 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -145.65 137.38 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.391 . . . . 0.0 111.387 -179.632 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.407 HD12 ' CG2' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -108.54 119.58 39.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.337 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.514 ' HG3' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -102.66 149.34 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.565 -179.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 13.9 t80 -109.26 148.68 30.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.643 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 98' ' ' TYR . 2.7 m-85 -105.3 84.47 1.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 -47.87 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.51 29.48 7.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.18 111.83 3.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.332 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.78 44.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.214 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 -170.66 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.72 19.16 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.546 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -74.04 143.63 45.41 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.11 -56.92 7.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -71.51 142.34 50.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -114.92 95.36 41.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.46 148.6 38.16 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.509 2.139 . . . . 0.0 112.377 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 2.1 p90 -164.02 144.56 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.76 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.14 141.97 10.38 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.6 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -170.79 -164.61 26.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.859 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -142.87 160.58 40.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.834 0.35 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.541 ' N ' HD12 ' A' ' 95' ' ' LEU . . . -159.97 -173.75 28.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.63 139.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -122.6 113.85 19.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 92' ' ' ALA . 6.8 p90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.683 -0.167 . . . . 0.0 112.683 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.54 137.06 35.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 169' ' ' MET . . . -122.87 134.26 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.99 149.18 17.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.548 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -131.47 138.44 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.73 124.09 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 174.95 -154.75 19.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.661 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -153.89 158.68 41.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.01 139.82 34.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 2.3 t80 -129.1 85.62 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 111.25 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.455 ' HB3' ' HB3' ' A' ' 161' ' ' LEU . 1.2 ptt? -88.06 147.87 24.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.886 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.01 -31.56 13.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.518 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 44.1 t30 76.54 -3.1 2.59 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -85.48 -48.03 9.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -129.9 -33.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.453 ' C ' HD12 ' A' ' 161' ' ' LEU . . . -166.39 -172.45 2.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.017 0.437 . . . . 0.0 111.704 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 205' ' ' TYR . 3.5 mp -116.54 156.43 26.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.3 OUTLIER -127.79 150.24 49.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.832 0.349 . . . . 0.0 111.148 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -136.14 146.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.54 ' HG3' HG22 ' A' ' 201' ' ' ILE . 0.0 OUTLIER -152.46 130.77 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.09 177.05 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 198' ' ' VAL . 21.7 t -96.98 141.2 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -120.26 127.85 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.8 103.28 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 13.8 ptt? -115.52 95.93 5.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.846 0.355 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 199' ' ' TYR . 3.0 p90 -138.45 146.23 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.3 tpt -135.34 128.79 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.54 HG22 ' HG3' ' A' ' 164' ' ' MET . 4.2 pt -107.57 126.11 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -134.01 176.37 19.81 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.553 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -134.8 139.11 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.32 -164.07 9.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.564 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.865 ' HA ' HD13 ' A' ' 161' ' ' LEU . 26.4 t80 -152.66 145.73 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 129.15 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 171.3 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.671 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -79.74 143.69 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.15 -8.07 44.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.88 152.49 19.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.697 0.284 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 207' ' ' PHE . 12.2 p90 -125.74 130.04 50.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.508 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.0 mp -136.17 140.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.62 137.27 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -136.26 146.42 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.4 138.08 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.83 0.347 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.05 137.49 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.408 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.88 146.34 49.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.739 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 t -155.4 149.85 26.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -115.92 143.01 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.649 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.99 127.87 45.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.645 ' HB2' HG22 ' A' ' 59' ' ' VAL . 5.3 m-85 -111.39 99.33 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.82 129.24 40.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.372 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -110.62 179.24 4.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.973 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.671 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -55.22 149.51 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.054 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 77.61 -62.15 0.38 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.603 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER 164.93 38.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.47 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.446 ' CD1' ' HB3' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -87.66 -174.03 4.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.907 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 172.21 130.22 1.22 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 51' ' ' TYR . 35.7 m -101.74 111.62 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.541 ' C ' HD22 ' A' ' 61' ' ' LEU . 5.5 tt0 -96.23 122.7 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.206 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD22 ' C ' ' A' ' 60' ' ' GLU . 3.3 mm? -111.89 119.97 40.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.468 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.72 136.51 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.28 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.95 118.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 N--CA 1.465 -0.16 0 CA-C-O 120.757 0.232 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.63 111.65 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.606 HG22 HD11 ' A' ' 95' ' ' LEU . 2.9 m -126.82 137.59 53.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -132.01 119.52 21.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 93' ' ' THR . 1.5 mp -135.11 150.03 50.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.93 111.17 23.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.69 155.56 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.446 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 5.8 p90 -146.84 150.16 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 88.4 m-85 -93.48 110.08 44.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.41 -52.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.572 2.182 . . . . 0.0 112.303 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.72 29.19 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.9 104.9 2.37 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.51 43.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -140.14 -170.45 2.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.58 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 104' ' ' THR . 39.3 m-20 -83.39 19.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.396 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.69 154.8 40.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.7 -33.61 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -94.94 143.18 26.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.33 89.92 6.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.83 134.19 13.2 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.588 2.192 . . . . 0.0 112.284 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 23.1 p90 -146.17 159.26 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.117 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.57 ' HA2' HD22 ' A' ' 150' ' ' LEU . . . -137.99 136.67 8.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.246 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.11 170.74 24.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.825 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.2 132.92 12.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -158.14 -164.99 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.709 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 146' ' ' LEU . 21.5 t -111.02 146.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 111.162 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.474 ' HA ' HG23 ' A' ' 93' ' ' THR . 0.8 OUTLIER -124.18 121.51 35.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 34.6 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.605 -0.198 . . . . 0.0 112.605 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 116' ' ' VAL . 0.4 OUTLIER -56.03 148.8 16.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 111.1 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -142.52 -177.55 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -150.95 151.09 23.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -132.37 129.36 39.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.718 0.294 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.57 HD22 ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -146.83 123.48 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.86 -145.1 5.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.592 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -158.11 177.98 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -133.07 136.24 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.677 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -107.47 84.98 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 0.0 111.253 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.519 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 23.0 mtm -69.95 121.75 17.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.979 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.67 -33.8 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.2 t30 77.26 -1.44 2.76 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.51 -48.11 9.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.99 0.424 . . . . 0.0 110.522 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 -34.43 0.55 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -163.95 -172.99 3.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.049 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.0 pp -117.06 176.3 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -109.91 150.02 29.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.883 0.373 . . . . 0.0 111.088 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -136.56 107.5 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.516 ' HG3' HG22 ' A' ' 201' ' ' ILE . 4.3 tmm? -136.97 131.09 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.84 171.1 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 198' ' ' VAL . 29.5 t -97.07 134.67 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -117.72 112.79 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.54 99.72 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.809 0.338 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.484 ' N ' HG12 ' A' ' 198' ' ' VAL . 10.4 p90 -142.99 149.64 38.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 15.3 ttp -128.34 128.03 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 164' ' ' MET . 1.2 pt -122.79 141.21 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -159.64 -162.49 12.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.02 175.35 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.33 154.64 25.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -155.22 121.19 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.508 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -99.41 138.16 36.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 2.2 t80 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.833 0.349 . . . . 0.0 110.826 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -134.53 -176.08 4.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.21 119.44 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.69 5.09 27.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.809 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.41 126.62 28.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.42 ' O ' HD13 ' A' ' 8' ' ' ILE . 14.0 m-85 -81.87 104.98 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.564 HD12 ' CB ' ' A' ' 206' ' ' LYS . 13.5 mm -121.06 122.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.524 HG22 ' CE1' ' A' ' 49' ' ' PHE . 20.3 pt -95.03 129.44 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.43 162.95 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.78 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 137.94 3.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.828 0.347 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -122.92 135.56 10.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.608 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mt -119.16 141.51 48.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.641 0.258 . . . . 0.0 110.506 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 62' ' ' VAL . 5.3 p -143.2 135.77 27.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 111.451 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -96.77 118.15 32.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.097 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.726 HG23 ' HB2' ' A' ' 60' ' ' GLU . 1.1 m -112.05 134.01 53.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.764 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -109.04 90.55 3.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.955 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.94 123.68 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.834 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.97 134.54 34.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.846 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.0 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ALA . 12.7 m-20 28.33 60.82 0.12 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.216 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -166.92 -34.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.735 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -152.04 -176.68 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.24 0.543 . . . . 0.0 111.966 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.08 119.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 m -102.01 139.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.726 ' HB2' HG23 ' A' ' 50' ' ' THR . 33.2 tt0 -132.41 150.03 52.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.616 HD12 ' CD2' ' A' ' 94' ' ' LEU . 9.0 tt -133.77 125.01 27.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.46 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 48' ' ' THR . 14.1 t -90.89 136.37 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.364 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 131.68 2.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.853 0.272 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.13 154.59 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 116' ' ' VAL . 16.8 m -127.79 127.42 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.616 ' CD2' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.12 131.92 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.34 158.2 43.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.35 145.38 48.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.27 143.63 50.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 86.7 t80 -100.27 150.1 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.95 89.04 45.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.186 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.48 -52.25 2.06 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.529 2.153 . . . . 0.0 112.184 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -25.92 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.8 116.8 3.53 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.73 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.62 44.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.132 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -170.58 3.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 110.615 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -84.56 19.22 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.464 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.25 -175.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.34 30.63 6.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CD2' ' HD3' ' A' ' 110' ' ' PRO . 41.2 p90 -173.94 143.6 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.62 90.2 5.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HD3' ' CD2' ' A' ' 108' ' ' PHE . 40.0 Cg_endo -67.16 131.87 26.31 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.56 2.174 . . . . 0.0 112.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CE1' ' OD1' ' A' ' 153' ' ' ASP . 7.2 p90 -148.25 140.91 24.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.65 132.51 4.45 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.612 ' C ' HD22 ' A' ' 114' ' ' LEU . . . -171.65 -164.82 27.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.557 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.612 HD22 ' C ' ' A' ' 113' ' ' GLY . 3.8 mm? -123.64 177.15 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -151.95 172.07 31.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.407 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 145' ' ' GLY . 21.5 t -141.73 135.83 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.425 ' HA ' HG23 ' A' ' 93' ' ' THR . 1.6 m-20 -108.03 130.85 55.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.705 ' O ' HG13 ' A' ' 116' ' ' VAL . . . . . . . . 0 N--CA 1.45 -0.377 0 N-CA-C 112.611 -0.196 . . . . 0.0 112.611 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.77 126.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.12 168.7 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.403 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -124.94 154.92 18.38 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.596 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -147.03 121.23 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.44 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 0.2 OUTLIER -154.76 126.74 7.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.025 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . 169.5 -144.96 8.96 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.568 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -148.88 163.29 37.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.402 ' OD1' ' CE1' ' A' ' 111' ' ' TYR . 20.7 m-20 -114.45 114.04 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -93.96 85.73 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.535 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.2 ptp -68.0 153.04 44.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.156 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.79 -33.67 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.8 t30 76.35 1.61 3.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.711 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.51 -48.02 9.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -143.11 -35.65 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.798 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.33 -172.88 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.805 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.8 OUTLIER -116.85 174.31 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -116.21 149.21 39.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.939 0.399 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.77 123.06 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.42 124.54 21.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.578 ' HB3' ' CE ' ' A' ' 200' ' ' MET . . . -163.7 177.68 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 150' ' ' LEU . 17.1 m -98.75 133.8 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.828 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.484 ' O ' HG21 ' A' ' 198' ' ' VAL . 0.0 OUTLIER -108.04 109.13 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.403 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 10.7 t80 -77.97 137.52 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.526 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.81 145.8 53.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.919 179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 167' ' ' TRP . 16.8 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.48 138.7 52.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . 0.578 ' CE ' ' HB3' ' A' ' 165' ' ' ALA . 0.0 OUTLIER -144.75 151.55 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 4.4 pt -134.42 142.18 41.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.213 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.56 -177.62 23.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.98 161.46 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -160.72 175.29 37.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.624 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' A' ' 161' ' ' LEU . 12.3 t80 -158.33 121.06 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.564 ' CB ' HD12 ' A' ' 8' ' ' ILE . 13.1 pttp -101.21 141.01 34.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 74.2 m80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.826 0.346 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -177.15 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -71.03 140.61 50.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.22 5.22 67.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.758 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.3 123.55 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.33 114.51 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.2 131.57 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.6 pt -107.23 158.97 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -156.89 161.84 39.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 137.87 2.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.418 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.84 0.353 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.11 141.79 15.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 HD22 ' HE1' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -118.29 148.04 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.635 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 m -149.19 136.65 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.252 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' HE1' HD22 ' A' ' 47' ' ' LEU . 4.3 m-85 -103.55 143.86 32.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.548 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.3 p -133.01 120.22 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.223 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.409 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m-85 -110.37 96.23 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.39 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 132.54 52.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.322 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 1.6 m-85 -112.31 170.39 8.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.926 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -59.25 153.49 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.867 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 77.61 -60.89 0.42 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.872 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 164.06 41.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.618 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 43.2 m95 -103.36 177.1 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.026 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . -171.3 153.76 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.642 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.31 111.95 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -97.12 143.08 28.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 111.224 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.671 HD21 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -145.01 110.49 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.44 179.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.429 HG21 ' HZ3' ' A' ' 167' ' ' TRP . 18.8 t -90.79 127.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.09 -175.01 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.814 0.256 . . . . 0.0 112.311 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -147.48 117.3 7.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -90.37 130.46 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.671 HD12 HD21 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -120.19 117.48 28.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.756 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.547 HD11 HG22 ' A' ' 93' ' ' THR . 0.6 OUTLIER -141.91 155.02 45.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.64 139.98 46.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.98 146.42 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 58.3 t80 -141.73 125.33 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.77 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.486 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 66.2 m-85 -103.83 94.24 6.14 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.34 -49.97 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.481 2.12 . . . . 0.0 112.542 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 tpt -112.54 -27.08 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.33 151.94 44.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.407 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.52 -17.18 1.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.59 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.79 -170.79 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.739 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -91.2 19.3 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.1 p -69.23 155.3 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.791 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.3 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.79 122.74 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.7 81.62 9.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.023 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.42 22.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.491 2.127 . . . . 0.0 112.213 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -159.31 157.13 29.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.6 148.88 16.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -167.81 -165.03 24.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.621 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.4 tp -143.5 161.71 37.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.66 -165.31 21.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.38 158.9 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -120.84 124.54 45.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.589 -0.204 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.0 174.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.803 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 95' ' ' LEU . . . -144.07 146.3 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -134.81 154.73 21.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.412 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.45 118.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.51 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 8.4 tt -147.18 123.11 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -177.15 -144.96 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.609 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.36 155.47 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -110.69 132.11 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 71.1 t80 -128.48 85.79 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.361 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.567 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.2 ttt -64.07 143.87 57.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -32.87 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 75.29 0.37 3.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.701 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.55 -47.92 9.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.128 0.49 . . . . 0.0 110.35 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -143.12 -34.88 0.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.8 -172.7 4.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 205' ' ' TYR . 1.3 pp -116.79 167.33 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.814 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -119.31 138.44 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 111.167 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -138.85 113.12 8.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.742 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.4 ttm -124.83 146.72 49.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -166.66 179.77 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.26 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.05 127.84 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.429 ' HZ3' HG21 ' A' ' 62' ' ' VAL . 10.0 m0 -109.09 108.64 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.44 109.13 20.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.8 mmt -124.48 118.92 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.939 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.855 0.359 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -124.61 115.53 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -100.09 148.39 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.56 115.54 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.39 158.4 23.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.582 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.18 154.66 49.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -167.72 -156.93 10.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.647 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.678 ' HA ' HD23 ' A' ' 161' ' ' LEU . 1.6 t80 -142.57 160.71 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 110.824 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -117.24 139.12 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 5.8 t80 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.25 -175.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.19 143.05 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.6 5.23 69.33 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.759 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.01 125.53 21.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.897 0.38 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -99.47 107.87 20.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HA ' ' A' ' 206' ' ' LYS . 11.0 mt -117.67 141.87 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -94.86 123.83 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -121.47 152.71 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.66 -162.02 13.85 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.4 ' CA ' ' HA2' ' A' ' 202' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.648 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.783 0.325 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.84 157.35 24.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 158.47 23.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 0.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.828 HG23 ' C ' ' A' ' 61' ' ' LEU . 39.6 m -155.8 131.82 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.186 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 61' ' ' LEU . 8.6 m-85 -90.43 156.42 18.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.418 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 141.86 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 111.586 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -133.85 87.56 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.43 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 2.1 ttp -71.91 129.18 37.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.82 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -88.95 140.87 28.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.888 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.0 92.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 31.49 60.73 0.28 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.03 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HG2' ' CZ3' ' A' ' 57' ' ' TRP . 18.7 tttp -163.76 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.845 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.696 ' CD1' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -151.46 -170.75 3.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.865 -179.277 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -170.67 175.3 44.51 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.065 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.9 149.84 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -144.17 135.96 26.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.828 ' C ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -151.55 107.01 3.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.84 139.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.99 140.53 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.919 0.3 . . . . 0.0 112.366 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.12 146.44 42.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.423 ' HA ' ' CE1' ' A' ' 118' ' ' TYR . 1.4 t -156.3 147.97 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 61' ' ' LEU . 1.2 mt -116.29 150.13 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.66 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -151.73 135.57 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.171 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD21 ' CD1' ' A' ' 57' ' ' TRP . 5.4 tt -84.07 150.55 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.561 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -106.99 129.06 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.946 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.66 124.08 49.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -116.74 79.36 9.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.33 -45.81 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.631 2.221 . . . . 0.0 112.256 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 mtt -112.0 -27.02 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.14 133.65 52.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.2 3.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.758 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 p -84.78 -170.65 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.66 19.18 3.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.51 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -173.91 0.22 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.781 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.42 -65.04 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -71.58 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -110.73 89.02 8.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.97 151.81 14.29 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.683 2.255 . . . . 0.0 112.261 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 14.7 p90 -171.04 153.72 3.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.069 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.35 165.1 22.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.292 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 149' ' ' GLU . . . -136.73 153.48 21.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.813 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.81 128.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 110.739 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -171.69 -164.74 27.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.606 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.37 154.05 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.71 126.18 47.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 93' ' ' THR . 7.4 p90 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.19 142.85 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.89 130.02 43.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -133.33 145.84 17.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.318 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 113' ' ' GLY . 9.3 pt-20 -129.29 152.18 49.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 mt -146.7 119.86 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -173.96 -144.94 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.588 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -164.25 140.17 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.87 117.9 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.4 85.95 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.976 0.417 . . . . 0.0 111.198 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.565 ' HB3' HD12 ' A' ' 161' ' ' LEU . 4.2 ptm -79.1 140.89 37.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.024 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 156' ' ' LEU . 6.0 mp -89.01 -27.17 21.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.699 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 75.06 3.28 4.11 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.55 -45.0 12.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.667 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.05 -32.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.655 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -158.91 -172.45 3.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.019 0.438 . . . . 0.0 111.747 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.34 153.98 31.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.01 129.24 55.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.887 0.375 . . . . 0.0 111.074 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.03 119.88 39.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -135.66 127.22 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 169.13 10.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 198' ' ' VAL . 34.1 t -96.92 115.87 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.978 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -95.24 129.85 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -138.36 101.42 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 6.7 ptp -124.18 122.19 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.998 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 166' ' ' VAL . 13.6 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.705 0.288 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -130.39 131.08 45.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 17.4 tpp -118.28 148.87 42.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.73 117.73 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . 0.4 ' HA2' ' CA ' ' A' ' 12' ' ' GLY . . . -135.02 159.97 24.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -122.14 138.23 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.65 -176.56 24.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.573 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -159.05 132.99 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.726 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -94.07 137.47 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.805 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.912 0.387 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -160.18 -177.9 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.623 ' N ' ' HB2' ' A' ' 54' ' ' ALA . . . -77.06 133.48 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 93.78 5.2 63.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.723 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 126.36 28.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.857 0.361 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.79 114.38 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 52' ' ' MET . 4.0 mp -117.08 139.53 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mt -95.76 130.75 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.59 141.07 51.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.73 -173.97 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.407 ' HA2' ' HA2' ' A' ' 202' ' ' GLY . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.741 0.305 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.08 144.29 12.4 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.544 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -118.28 148.65 42.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.696 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.3 m -152.65 133.33 13.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -93.44 165.99 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.89 142.23 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.122 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.438 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 6.3 t80 -128.24 85.67 2.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.466 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.96 135.82 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -113.3 134.63 54.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.623 ' HB2' ' N ' ' A' ' 4' ' ' ALA . . . -67.93 89.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.607 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ALA . 1.2 m-20 159.43 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.464 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.7 35.37 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.79 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.476 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -119.89 157.79 28.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.081 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . -161.63 126.14 1.53 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.553 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.0 111.97 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.47 146.11 29.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.83 110.59 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.0 147.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.65 124.96 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo . . . . . 0 C--O 1.23 0.094 0 CA-C-O 120.899 0.291 . . . . 0.0 112.24 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.32 166.07 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.525 HG23 ' OD1' ' A' ' 117' ' ' ASN . 1.3 m -145.3 113.37 6.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.77 124.07 51.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 0.4 OUTLIER -139.18 138.57 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.15 118.31 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -101.81 144.02 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -135.55 140.23 44.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.5 p90 -137.11 88.41 17.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.54 -27.79 15.16 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.509 2.14 . . . . 0.0 112.273 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.1 mtm -108.13 30.69 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.46 146.31 16.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.68 -1.79 5.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.733 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.667 HG23 ' H ' ' A' ' 106' ' ' SER . 10.0 t -84.86 -170.5 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.311 . . . . 0.0 110.668 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.73 19.19 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.667 ' H ' HG23 ' A' ' 104' ' ' THR . 30.6 t -68.67 136.6 53.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.73 70.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 19.1 p90 -93.49 146.92 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.51 88.22 18.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.0 140.87 97.31 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.583 2.189 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -154.14 137.89 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.08 141.46 8.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.673 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.35 -168.34 38.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -147.14 -178.99 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.66 -164.96 32.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m -125.52 149.49 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.525 ' OD1' HG23 ' A' ' 93' ' ' THR . 3.7 m-20 -117.98 129.33 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.29 127.27 40.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.92 172.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -130.88 160.36 23.24 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.649 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -156.04 125.09 6.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.336 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.552 ' O ' HG22 ' A' ' 166' ' ' VAL . 0.3 OUTLIER -157.56 116.58 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -168.93 -144.97 4.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.625 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -148.53 146.84 28.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -100.5 116.85 33.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -106.25 85.66 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.532 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -71.26 144.61 49.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.004 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 1.3 mt -90.61 -28.0 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.768 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 4.2 m-80 68.94 2.04 3.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.97 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.75 -48.25 8.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.175 0.512 . . . . 0.0 110.3 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -143.29 -35.7 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.907 ' HB2' ' CE2' ' A' ' 205' ' ' TYR . . . -150.03 -172.86 4.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.532 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.3 pp -116.89 173.01 6.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.88 146.11 49.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.79 121.07 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.527 ' HG2' HG22 ' A' ' 201' ' ' ILE . 23.5 mtp -132.16 116.09 16.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -154.48 172.61 17.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.436 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 150' ' ' LEU . 30.7 m -97.01 148.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -116.79 114.17 23.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.404 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 3.8 t80 -78.08 142.78 37.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -68.81 160.2 30.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.001 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 166' ' ' VAL . 19.9 m . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.809 0.338 . . . . 0.0 111.055 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -146.48 117.17 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.37 137.02 48.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.527 HG22 ' HG2' ' A' ' 164' ' ' MET . 1.5 pt -138.99 114.47 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . 0.407 ' HA2' ' HA2' ' A' ' 12' ' ' GLY . . . -132.4 -171.63 12.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.722 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -137.07 143.59 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.474 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -147.35 -168.72 14.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.578 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.907 ' CE2' ' HB2' ' A' ' 160' ' ' ALA . 61.6 m-85 -142.67 161.06 39.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.53 138.12 50.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.812 0.339 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -114.1 -178.36 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -75.4 129.9 38.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.08 5.11 64.26 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.33 137.93 58.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.38 104.95 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.706 HG23 ' OG1' ' A' ' 50' ' ' THR . 3.1 tt -127.38 145.36 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.638 HD11 ' HB3' ' A' ' 205' ' ' TYR . 2.7 pt -114.45 154.04 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -138.01 159.95 40.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.28 -172.04 12.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.529 179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.843 0.354 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.89 155.43 48.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 mt -129.86 132.1 46.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.757 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.915 HG22 ' HA ' ' A' ' 62' ' ' VAL . 50.0 p -141.48 130.46 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.072 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -93.21 153.86 18.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 179.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.706 ' OG1' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -144.5 140.19 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -130.25 94.37 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.82 136.12 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.358 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.22 170.46 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.757 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -61.54 154.67 24.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.667 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER 79.55 -60.5 0.33 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.834 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 161.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -111.18 175.27 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 97' ' ' GLN . . . -178.11 145.36 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.98 112.01 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.74 150.02 23.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tp -146.72 123.76 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.68 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' A' ' 48' ' ' THR . 12.9 t -90.96 137.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 179.59 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo . . . . . 0 C--O 1.23 0.12 0 CA-C-O 120.86 0.275 . . . . 0.0 112.227 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.79 140.97 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.518 HG23 ' CG ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -102.39 132.64 48.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.6 tp -111.72 144.36 41.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -159.91 135.64 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.166 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 96' ' ' LEU . 14.0 mt -94.8 120.74 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.0 OUTLIER -101.92 119.76 39.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.43 ' CZ ' ' HA3' ' A' ' 112' ' ' GLY . 16.5 p90 -121.8 150.22 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -112.97 91.82 19.24 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.5 -52.07 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.096 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -27.02 8.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -55.07 117.3 8.02 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.662 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.41 45.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.211 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -153.95 -170.89 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.674 0.273 . . . . 0.0 110.678 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -77.48 5.37 9.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.66 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 p -58.09 139.23 55.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.75 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -96.53 136.27 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -108.67 92.73 10.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.03 133.86 30.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.464 2.109 . . . . 0.0 112.229 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -139.35 159.28 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 98' ' ' TYR . . . -116.31 146.11 18.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.314 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.463 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -131.34 147.43 18.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.711 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -165.65 129.49 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.728 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -172.58 -164.67 28.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.67 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 118' ' ' TYR . 11.1 p -125.16 146.54 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.518 ' CG ' HG23 ' A' ' 93' ' ' THR . 46.7 t30 -116.29 114.05 23.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 116' ' ' VAL . 15.0 m-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.807 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.549 -0.22 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -58.85 155.79 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.735 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.554 ' HB3' HD11 ' A' ' 95' ' ' LEU . . . -126.62 159.02 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.239 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.02 144.94 10.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.432 ' CD ' HD22 ' A' ' 95' ' ' LEU . 71.8 mt-10 -132.91 147.14 52.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 166' ' ' VAL . 0.8 OUTLIER -153.84 118.72 5.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.69 -145.19 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.576 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -146.61 176.12 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.15 114.13 22.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -97.22 85.83 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.511 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 19.6 ptt? -75.12 146.97 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.273 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 7.2 mt -98.26 -23.75 15.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 1.6 m120 68.88 7.8 6.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.846 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -85.65 -48.37 8.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.28 -36.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.688 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -152.23 -172.61 4.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.75 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -116.71 170.33 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.848 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.36 148.88 41.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.089 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.52 118.31 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 24.5 mtt -126.06 128.61 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.05 169.81 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 150' ' ' LEU . 6.4 m -96.99 126.25 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -105.36 146.44 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -163.57 134.57 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.793 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.2 ptp -158.5 103.5 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.888 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.765 0.317 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.95 118.71 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.7 pt -110.72 147.23 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.11 -169.74 16.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 203' ' ' PHE . 6.8 m-85 -121.83 178.81 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.356 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . 0.4 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -164.76 159.62 32.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.638 ' HB3' HD11 ' A' ' 9' ' ' ILE . 50.5 t80 -158.93 138.97 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' A' ' 8' ' ' ILE . 6.2 mttm -96.76 139.44 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.4 p80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.86 0.362 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.77 -170.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.516 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -78.55 156.58 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.62 2.4 84.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.825 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 149.71 26.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.837 0.351 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -127.53 115.68 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.819 HG22 ' HA ' ' A' ' 206' ' ' LYS . 1.1 pt -137.4 137.22 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.052 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 10' ' ' ARG . 22.9 mm -94.87 159.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -145.2 110.08 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.57 138.5 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.856 0.36 . . . . 0.0 110.793 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.42 135.15 12.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 tp -126.32 129.05 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 61' ' ' LEU . 28.7 m -146.83 134.14 20.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.259 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -88.42 158.14 18.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -138.01 137.63 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.069 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.89 156.59 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.656 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.419 ' HG3' ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -133.49 117.98 17.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 4.9 t80 -109.37 168.32 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.723 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.65 158.21 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.702 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 17.1 t70 80.4 -61.57 0.26 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 160.35 43.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.675 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.405 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -104.12 157.57 17.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.13 144.99 10.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -110.12 137.9 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.686 0.279 . . . . 0.0 110.967 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.28 135.73 45.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -132.67 115.59 15.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.03 132.53 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.192 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.05 -175.01 3.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo . . . . . 0 N--CA 1.465 -0.17 0 CA-C-O 120.754 0.231 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.05 102.92 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.9 m -101.93 121.64 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -118.27 128.23 54.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 pp -147.39 162.29 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.415 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.79 118.9 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.45 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.43 153.28 20.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.78 139.98 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.64 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 67.2 m-85 -107.56 80.98 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.31 -42.25 5.8 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.633 2.222 . . . . 0.0 112.186 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -125.22 29.2 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.58 101.55 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.88 44.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.21 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -152.86 -170.56 3.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 110.664 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 104' ' ' THR . 26.8 p30 -75.39 2.47 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.698 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.9 p -57.26 -176.51 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.45 -42.92 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.21 139.35 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -118.17 79.99 15.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 131.83 17.23 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.574 2.183 . . . . 0.0 112.439 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -137.58 165.9 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.743 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.96 144.67 10.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.31 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 pp -144.07 179.9 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.39 -164.91 28.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.5 m -128.9 145.24 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -108.14 141.95 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.9 t80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.411 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.52 107.69 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.8 171.01 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.427 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -125.12 153.82 18.11 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.93 116.99 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.756 0.312 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.546 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 2.5 pp -157.95 140.07 14.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.974 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -177.06 -147.61 6.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.721 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -146.36 155.02 42.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -118.38 134.19 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 162' ' ' PHE . 91.2 t80 -118.83 85.46 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.642 ' HB3' HD23 ' A' ' 161' ' ' LEU . 3.9 ptt? -69.46 149.94 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 5.5 mp -110.04 -33.07 6.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 60.9 m-20 72.43 0.41 3.59 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.838 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.47 -47.96 9.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -137.26 -36.57 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.795 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.58 -172.94 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.642 HD23 ' HB3' ' A' ' 155' ' ' MET . 1.5 mp -117.0 170.48 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.487 ' HE1' HD12 ' A' ' 201' ' ' ILE . 55.6 t80 -111.55 148.81 32.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -148.04 132.26 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.654 ' HG3' HG22 ' A' ' 201' ' ' ILE . 12.2 ttt -156.65 150.65 24.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.76 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.546 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -168.9 173.96 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 111.389 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.2 t -96.98 142.36 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.17 107.03 17.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.427 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 39.5 t80 -78.72 148.64 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.7 ptp -68.62 156.57 37.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.97 -179.877 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 199' ' ' TYR . 11.1 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . 0.488 ' N ' HG12 ' A' ' 198' ' ' VAL . 4.7 t80 -106.29 136.09 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.15 166.8 12.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.654 HG22 ' HG3' ' A' ' 164' ' ' MET . 40.3 pt -98.89 146.41 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.34 -167.38 11.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.98 178.96 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.758 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.24 167.69 21.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.516 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -154.61 135.07 13.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.819 ' HA ' HG22 ' A' ' 8' ' ' ILE . 5.9 pttt -100.01 128.06 46.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.806 0.336 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.76 166.7 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.94 130.56 36.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.65 5.23 64.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.636 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 124.37 17.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' HD13 ' A' ' 8' ' ' ILE . 59.9 m-85 -81.88 117.52 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 7' ' ' PHE . 26.4 mm -128.74 137.69 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.043 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -122.69 118.44 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -126.26 135.34 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.26 137.97 2.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.615 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.462 179.911 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.38 136.44 13.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mp -126.86 137.23 53.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.775 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 62' ' ' VAL . 40.3 p -141.09 150.97 43.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.091 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.611 ' HD1' HG22 ' A' ' 9' ' ' ILE . 27.9 m-85 -113.51 111.34 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.71 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' A' ' 8' ' ' ILE . 63.1 m -96.88 142.9 28.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.171 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.12 95.07 4.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.96 130.67 47.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.377 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 2.7 m-85 -109.83 129.07 55.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.855 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -66.87 86.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.537 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 162.81 -55.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.248 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER 160.42 36.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.87 179.336 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -123.11 163.74 19.98 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.424 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.57 122.59 1.11 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.399 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.8 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -117.58 138.17 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.245 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 94' ' ' LEU . 11.3 mt -123.41 144.61 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.87 ' HA ' HG22 ' A' ' 48' ' ' THR . 23.7 t -102.64 132.36 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.11 137.26 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo . . . . . 0 C--O 1.232 0.214 0 CA-C-O 120.808 0.253 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.2 143.31 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 61' ' ' LEU . 1.3 m -115.66 144.51 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.588 HD12 HD21 ' A' ' 61' ' ' LEU . 3.1 tp -132.06 129.12 39.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.73 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.629 HD21 ' CB ' ' A' ' 147' ' ' ALA . 4.2 mp -139.22 162.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 mt -124.96 122.33 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.418 ' CE2' ' HG3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -114.45 135.98 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.67 79.76 0.67 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.51 -44.35 2.3 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.544 2.163 . . . . 0.0 112.278 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -106.64 30.19 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.59 130.3 10.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.29 -17.74 2.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -84.82 -170.76 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.811 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.438 ' H ' HG22 ' A' ' 104' ' ' THR . 7.7 p30 -89.67 19.06 4.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.84 131.73 47.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.769 0.318 . . . . 0.0 110.777 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.82 82.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -81.38 137.82 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.71 85.26 3.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.57 151.13 58.34 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.622 2.215 . . . . 0.0 112.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.25 138.03 13.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.68 146.87 18.86 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.71 -164.99 32.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.51 -178.96 5.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.15 -165.0 30.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.0 164.41 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.423 ' HA ' HG23 ' A' ' 93' ' ' THR . 5.2 t-20 -138.93 124.16 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.8 p90 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.926 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.86 132.58 43.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.629 ' CB ' HD21 ' A' ' 95' ' ' LEU . . . -105.56 153.42 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.86 160.95 21.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.36 120.37 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.63 112.88 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 176.69 -144.86 7.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.624 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -158.61 160.87 37.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.35 115.78 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 162' ' ' PHE . 13.1 t80 -90.48 85.24 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.84 ' HB3' HD22 ' A' ' 161' ' ' LEU . 3.2 mtm -70.99 151.16 44.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.628 HD23 ' HB2' ' A' ' 158' ' ' GLU . 2.4 tp -110.22 -40.01 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.725 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t30 78.14 -4.49 2.2 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.734 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.628 ' HB2' HD23 ' A' ' 156' ' ' LEU . 1.3 mm-40 -85.33 -44.14 13.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.059 0.457 . . . . 0.0 110.562 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -36.0 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -164.21 -173.01 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.84 HD22 ' HB3' ' A' ' 155' ' ' MET . 0.9 OUTLIER -117.0 168.95 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.404 ' CB ' ' O ' ' A' ' 154' ' ' TYR . 3.6 t80 -115.88 136.97 52.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.749 0.309 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.01 130.51 53.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 201' ' ' ILE . 0.5 OUTLIER -151.48 115.95 5.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.722 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -162.46 167.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.351 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 29.7 t -97.11 118.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -104.51 124.88 50.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.51 97.56 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 3.7 ptm -128.46 106.52 9.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.876 0.37 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -127.02 148.22 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 9.5 tpp -125.95 141.53 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.632 HG22 ' HG2' ' A' ' 164' ' ' MET . 2.6 pp -137.7 139.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.32 -170.04 22.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.672 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 15.5 m-85 -127.62 142.32 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.95 -170.67 12.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.636 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -156.13 160.85 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.01 129.72 53.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.868 0.366 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.63 148.88 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.718 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . . . -60.45 127.1 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.83 5.33 53.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.636 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.22 146.47 53.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 0.0 111.021 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . 10.2 p90 -126.97 105.02 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.453 HG22 ' CB ' ' A' ' 206' ' ' LYS . 1.6 pp -112.96 140.35 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.41 HD12 ' CD2' ' A' ' 49' ' ' PHE . 24.2 mm -95.0 129.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.64 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.89 137.92 2.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.423 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.87 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.747 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.457 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -158.56 131.32 2.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.584 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 46' ' ' GLY . 12.4 mt -124.98 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -153.97 134.58 13.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CD2' HD12 ' A' ' 9' ' ' ILE . 5.8 m-85 -91.19 108.49 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.583 HG23 ' HB3' ' A' ' 60' ' ' GLU . 1.1 m -93.14 149.13 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' CB ' ' A' ' 7' ' ' PHE . 89.7 m-85 -141.83 120.22 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.591 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -100.52 131.38 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.28 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB2' ' CB ' ' A' ' 57' ' ' TRP . 97.4 m-85 -115.07 168.45 9.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.852 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.718 ' HB2' ' CB ' ' A' ' 4' ' ' ALA . . . -59.26 158.5 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.955 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 81.28 -62.37 0.19 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.8 45.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.391 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -103.86 137.76 41.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.992 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.36 119.87 1.42 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.471 HG22 ' HG ' ' A' ' 96' ' ' LEU . 21.4 t -123.42 120.07 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.717 0.294 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' A' ' 50' ' ' THR . 0.3 OUTLIER -136.9 149.67 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.79 119.62 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.415 HG21 ' CH2' ' A' ' 167' ' ' TRP . 20.4 t -90.9 148.02 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.515 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.2 116.99 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.047 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.829 0.262 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.63 133.86 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -137.29 113.91 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 95' ' ' LEU . 9.8 tt -100.07 146.95 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 94' ' ' LEU . 2.8 mp -147.79 154.84 41.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.471 ' HG ' HG22 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -132.19 126.01 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 13.2 mt-30 -117.24 157.75 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 94.3 m-85 -126.48 128.59 47.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CZ ' ' CE2' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -59.71 109.36 1.9 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.932 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.1 -45.84 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.417 2.078 . . . . 0.0 112.402 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 mtm -125.71 2.32 7.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.334 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . 0.404 ' HA3' ' CD1' ' A' ' 99' ' ' TYR . . . -61.1 124.09 34.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.444 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 -28.08 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -84.98 -170.93 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.817 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.445 ' H ' HG22 ' A' ' 104' ' ' THR . 8.8 p30 -92.77 19.1 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.297 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 p -67.38 141.17 57.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.742 0.306 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.24 -27.35 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -89.59 126.43 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.88 93.94 8.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.62 155.0 59.66 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.569 2.179 . . . . 0.0 112.478 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -159.7 138.02 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.11 14.98 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.692 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.02 -165.0 38.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.71 178.7 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.72 ' C ' ' HB3' ' A' ' 147' ' ' ALA . . . -160.81 -164.98 16.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m -141.66 143.05 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -116.84 124.9 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.98 132.47 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HB3' ' C ' ' A' ' 115' ' ' GLY . . . -105.13 156.75 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -143.76 138.39 8.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.52 120.56 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.06 124.65 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.53 -144.85 8.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -158.68 162.62 37.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.69 116.62 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.25 85.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 14.2 ptt? -66.43 153.0 43.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 158' ' ' GLU . 8.7 tp -103.73 -34.71 8.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.7 t30 76.94 0.37 3.08 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.694 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . 0.559 ' HB3' HD23 ' A' ' 156' ' ' LEU . 22.0 tp10 -85.53 -47.99 9.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.125 0.488 . . . . 0.0 110.405 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -142.89 -35.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.828 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.92 -173.98 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.517 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.9 173.47 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.13 138.93 54.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.866 0.365 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -119.38 132.92 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.3 mtt -148.9 123.63 9.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.85 179.54 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 198' ' ' VAL . 31.1 t -97.1 123.6 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.415 ' CH2' HG21 ' A' ' 62' ' ' VAL . 62.4 t-105 -96.49 146.93 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.992 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -147.54 126.7 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.7 ptm -148.86 111.13 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.797 0.332 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.11 127.9 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.0 ttt -121.9 141.89 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.04 133.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.54 -161.05 10.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.592 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.96 165.73 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.14 167.64 25.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.535 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.401 ' N ' HD21 ' A' ' 161' ' ' LEU . 44.4 t80 -154.64 140.05 17.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.5 ' CD ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -129.78 141.01 50.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.2 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.0 m80 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.834 0.35 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -172.84 159.07 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.3 138.0 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.58 5.27 88.54 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.72 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 123.17 8.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.087 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -100.18 112.92 25.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 205' ' ' TYR . 6.5 mt -119.67 140.97 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 205' ' ' TYR . 1.6 pt -94.72 117.64 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.352 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -108.01 159.4 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.762 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.97 138.15 3.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.579 179.988 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.77 17.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.566 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.1 159.57 20.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 61' ' ' LEU . 5.6 m -158.03 139.8 13.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.543 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -90.17 163.61 14.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.154 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 m -146.29 135.76 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 111.814 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.69 85.8 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.025 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 8' ' ' ILE . 6.5 ptt? -86.88 140.49 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 112.045 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -105.31 139.37 40.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.251 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.97 101.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 99' ' ' TYR . 25.2 t0 38.06 38.55 0.2 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.624 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -122.66 -58.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.227 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.743 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 4.4 p-90 -168.13 -166.48 0.72 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.759 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -166.23 142.32 7.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.561 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.743 HG22 ' CZ3' ' A' ' 57' ' ' TRP . 21.6 t -102.97 152.15 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' C ' HD12 ' A' ' 61' ' ' LEU . 14.3 pt-20 -144.01 133.56 23.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 48' ' ' THR . 7.0 mp -131.96 119.15 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.8 t -90.88 141.5 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.279 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.42 121.65 2.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.802 0.251 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.92 137.78 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.685 HG22 ' CD1' ' A' ' 95' ' ' LEU . 2.9 m -117.09 132.07 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.643 HD12 ' CD2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -130.6 119.6 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.685 ' CD1' HG22 ' A' ' 93' ' ' THR . 6.1 mp -133.65 147.48 51.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -123.03 117.65 25.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.696 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 9.0 pm0 -102.03 153.12 20.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.433 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 8.2 p90 -129.89 145.46 51.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.7 p90 -142.17 84.28 11.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.43 -32.92 3.54 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.608 2.206 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.58 -27.01 34.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.27 161.13 50.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.45 -7.6 4.98 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.729 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 106' ' ' SER . 9.6 t -84.85 -170.6 3.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.47 19.16 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.433 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.707 ' H ' HG23 ' A' ' 104' ' ' THR . 1.4 t -61.84 139.64 58.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.38 97.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.223 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -92.56 148.07 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -114.24 91.37 23.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.733 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.27 149.14 56.8 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.533 2.155 . . . . 0.0 112.392 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 20.2 m-85 -156.25 137.88 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.3 136.73 5.55 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -177.55 -164.58 31.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.738 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.09 -178.92 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -170.73 -164.89 27.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.648 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.93 139.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . 0.596 ' OD1' HG23 ' A' ' 93' ' ' THR . 1.3 m-20 -115.31 118.44 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.581 -0.208 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.48 163.45 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -132.3 -176.27 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.84 150.04 21.47 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.59 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . 0.56 ' HB2' HD22 ' A' ' 95' ' ' LEU . 3.9 tm-20 -149.92 117.01 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.46 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 1.2 mt -147.04 130.46 16.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -179.39 -147.13 7.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.734 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -153.25 135.07 14.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 163' ' ' ASN . 21.7 m-20 -93.55 123.8 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -107.74 85.5 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.587 ' HB3' HD23 ' A' ' 161' ' ' LEU . 3.0 ptt? -74.6 141.41 44.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.812 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 tp -95.35 -35.61 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 76.42 -1.14 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.553 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -46.42 10.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.11 -35.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.52 -174.32 4.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 161' ' ' LEU . 1.0 OUTLIER -119.07 169.02 10.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 15.2 m-85 -122.82 142.47 50.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 153' ' ' ASP . 10.0 p30 -139.91 112.35 7.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.614 ' HG2' HG22 ' A' ' 201' ' ' ILE . 2.5 mtt -130.08 138.2 50.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.46 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -157.48 178.4 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 198' ' ' VAL . 14.3 p -96.98 123.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -93.96 140.53 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.89 122.61 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 24.9 ttt -123.85 100.73 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 166' ' ' VAL . 21.4 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -127.88 131.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -132.28 158.25 42.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.614 HG22 ' HG2' ' A' ' 164' ' ' MET . 2.5 pp -135.69 133.78 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -144.18 -175.67 17.52 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -121.89 163.68 18.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.57 166.46 29.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.634 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 8' ' ' ILE . 6.5 t80 -156.11 121.3 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.496 ' HD3' HD21 ' A' ' 161' ' ' LEU . 6.0 pttp -87.46 140.92 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.002 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.9 m170 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.795 0.331 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -132.8 -176.61 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.495 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . . . -63.7 149.66 46.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 0.36 75.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.811 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.46 129.06 37.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -119.22 125.12 48.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.769 HG22 ' HA ' ' A' ' 206' ' ' LYS . 21.8 pt -130.1 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -100.08 118.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 177.34 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.51 -166.12 15.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.586 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.766 0.317 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.61 130.95 10.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.08 142.75 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.637 HG23 HG22 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -130.11 175.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.98 113.7 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.76 140.56 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.46 100.71 5.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.7 mtp -75.01 124.94 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -115.4 172.3 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' CA ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.12 154.46 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.742 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.47 -60.27 0.4 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.002 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.09 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.535 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -100.27 142.21 32.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.043 -179.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.75 120.45 1.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.87 113.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -102.0 145.03 29.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -146.63 108.85 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 48' ' ' THR . 21.6 t -90.84 138.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.276 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.02 138.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.759 0.233 . . . . 0.0 112.364 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.43 33.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.411 HG22 HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.54 111.8 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.013 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -105.02 117.47 34.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.636 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.2 mt -126.17 152.96 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.5 mt -126.07 117.2 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.565 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -113.05 170.58 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -141.77 145.61 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.731 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 5.5 p90 -128.34 87.42 55.29 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.28 -45.26 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.59 2.193 . . . . 0.0 112.241 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.5 mmm -77.5 -27.07 51.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.56 144.84 36.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.54 43.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.206 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.86 -170.75 3.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -85.44 19.08 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.462 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -74.64 163.41 27.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 -27.67 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -81.48 118.01 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -108.07 82.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.68 155.2 54.43 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -168.92 149.41 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.41 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -153.17 155.21 26.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.594 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 160.11 -166.22 35.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.575 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -140.94 -179.01 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.779 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.49 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -158.52 -167.15 18.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.697 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.0 m -140.5 148.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -106.93 115.52 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.656 -0.178 . . . . 0.0 112.656 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' LEU . . . . . 0.822 ' O ' HD12 ' A' ' 146' ' ' LEU . 1.8 pp -130.81 137.21 49.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.578 ' HB1' ' HE1' ' A' ' 167' ' ' TRP . . . -113.51 153.24 29.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' ' 168' ' ' TYR . . . -116.56 159.37 13.96 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.647 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -156.01 118.35 4.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.457 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 7.2 mt -155.06 125.23 6.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.05 -144.97 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.563 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -149.14 161.61 41.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.913 0.387 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -112.11 144.74 40.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.836 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' TYR . . . . . 0.449 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.6 OUTLIER -120.01 85.2 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.431 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' MET . . . . . 0.632 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.7 ptt? -79.75 146.11 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.05 -28.68 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.9 t30 75.86 3.96 3.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.669 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -48.05 9.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.135 0.493 . . . . 0.0 110.484 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -138.49 -36.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.7 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -165.88 -172.94 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -117.2 173.18 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -119.34 149.98 40.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.32 121.1 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.637 ' HG2' HG22 ' A' ' 201' ' ' ILE . 3.1 mtt -132.54 118.79 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.714 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -156.59 -178.36 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.72 142.07 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' TRP . . . . . 0.578 ' HE1' ' HB1' ' A' ' 147' ' ' ALA . 3.7 t90 -115.96 111.75 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' TYR . . . . . 0.427 ' CD1' ' HA3' ' A' ' 148' ' ' GLY . 23.4 m-85 -77.89 137.89 38.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 161.31 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 198' ' ' VAL . 9.4 m . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.835 0.35 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -145.78 138.77 25.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.88 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.637 HG22 ' HG2' ' A' ' 164' ' ' MET . 1.6 pt -142.85 113.5 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -129.33 -161.41 10.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.6 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -121.81 167.46 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -152.45 145.31 12.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.532 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -134.35 131.18 38.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -97.4 133.83 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.808 0.337 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -142.12 -48.47 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.39 -171.29 3.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.535 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -78.79 141.34 37.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.06 1.98 58.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.782 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.2 136.25 49.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.852 0.358 . . . . 0.0 110.88 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -99.86 123.2 43.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.523 HD11 ' CG2' ' A' ' 50' ' ' THR . 1.7 pt -142.46 130.24 20.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.004 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.494 HD13 ' HB2' ' A' ' 205' ' ' TYR . 3.5 mp -97.67 141.59 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.144 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.18 104.7 9.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 159.12 171.51 25.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.41 154.05 21.52 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.413 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' HD2' HD13 ' A' ' 47' ' ' LEU . 0.6 OUTLIER -144.48 145.31 31.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.786 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' H ' HD23 ' A' ' 45' ' ' LEU . . . 60.32 95.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.003 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 p -68.69 148.0 51.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.95 94.26 4.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.101 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -149.47 148.87 27.41 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.09 153.94 62.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.56 2.173 . . . . 0.0 112.329 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -142.2 76.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.2 -60.37 1.59 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.4 m -101.18 31.49 3.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.43 100.59 10.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 77.4 p -127.9 -45.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -111.17 137.76 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.565 HG22 ' O ' ' A' ' 25' ' ' ILE . 2.0 mt -124.17 34.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 tptt -78.04 146.32 35.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.31 30.34 3.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -113.19 79.81 1.28 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -161.83 -42.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -112.28 171.08 7.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 111.046 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -83.68 -57.33 3.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -166.47 -59.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.409 ' O ' HG21 ' A' ' 38' ' ' THR . 6.7 tpt180 63.63 134.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.67 125.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 t -102.73 -31.73 10.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -146.62 113.04 5.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 60.5 99.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -127.52 39.24 3.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.48 -56.78 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -112.05 98.43 7.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.5 t -76.81 129.42 36.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -81.08 77.47 7.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.86 -38.65 3.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.945 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -59.26 160.81 6.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.9 mp -108.93 171.5 7.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.508 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . 177.13 161.97 26.69 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.514 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD13 ' HD2' ' A' ' 13' ' ' PHE . 1.6 tp -153.67 142.9 21.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 110.947 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.805 HG22 ' HA ' ' A' ' 62' ' ' VAL . 30.6 p -137.01 152.34 50.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.995 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -108.6 109.46 20.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.523 ' CG2' HD11 ' A' ' 8' ' ' ILE . 27.7 m -103.67 144.47 31.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -130.09 97.91 4.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.49 129.64 42.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.08 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.48 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.7 t80 -117.55 168.38 10.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.024 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.535 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -54.81 157.74 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 112.059 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER 78.66 -63.32 0.3 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.603 179.899 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.71 41.88 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.449 179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.48 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 23.7 m0 -106.98 168.88 8.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.867 0.365 . . . . 0.0 111.149 -179.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -172.1 130.5 1.94 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.619 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.514 HG22 ' CD2' ' A' ' 96' ' ' LEU . 28.9 t -101.94 112.02 33.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.351 . . . . 0.0 110.87 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -112.28 139.14 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 94' ' ' LEU . 6.5 tt -120.17 129.22 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.604 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.805 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.7 t -90.78 129.83 40.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.08 129.42 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.96 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.508 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . -145.74 158.75 43.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.52 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.2 OUTLIER -142.02 139.81 18.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD2' HG22 ' A' ' 65' ' ' THR . 58.8 Cg_endo -72.12 -45.45 0.66 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.455 2.103 . . . . 0.0 112.358 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 66' ' ' PRO . 15.4 p90 -138.15 164.82 28.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.944 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -153.05 138.23 17.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 60.67 40.52 16.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.27 -45.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.46 98.63 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -91.84 136.17 33.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 15.4 m -65.67 145.26 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.06 34.94 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 88.83 -140.47 15.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.536 HD21 ' OD1' ' A' ' 125' ' ' ASP . 0.6 OUTLIER -175.03 -42.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.811 0.339 . . . . 0.0 110.966 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -71.59 -115.41 0.05 OUTLIER Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.497 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.24 -172.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.467 2.111 . . . . 0.0 112.245 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 66.47 -163.66 42.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.516 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.0 mp -107.43 165.1 11.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -113.42 118.1 33.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -87.87 -56.5 2.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.397 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.2 mtpt -67.26 104.68 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.877 0.37 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 mt -133.95 -46.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.71 144.29 41.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.36 164.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.5 pp -141.44 158.39 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.51 138.24 33.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.9 mp0 -126.46 117.5 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.06 80.26 72.49 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.74 159.0 52.0 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.621 2.214 . . . . 0.0 112.372 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -130.09 134.82 47.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.584 HG23 ' HA ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -130.35 128.49 41.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.022 -179.854 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 61' ' ' LEU . 8.1 mt -118.69 125.27 49.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.682 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -139.37 137.69 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' CD2' HG22 ' A' ' 59' ' ' VAL . 46.3 mt -91.78 132.08 36.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.716 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -102.05 143.78 31.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -126.14 126.45 44.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.737 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -106.4 78.51 0.53 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.204 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.61 -46.15 1.4 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.59 2.194 . . . . 0.0 112.427 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -27.08 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.0 112.23 4.51 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.42 ' O ' HG23 ' A' ' 104' ' ' THR . . . 155.6 57.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.255 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.42 HG23 ' O ' ' A' ' 103' ' ' GLY . 0.0 OUTLIER -171.12 -170.72 0.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.838 0.351 . . . . 0.0 110.63 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -88.67 19.25 4.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.297 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 30.0 t -64.61 142.58 58.37 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.64 -36.86 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.04 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.499 ' CZ ' ' CD2' ' A' ' 154' ' ' TYR . 12.3 m-85 -89.54 139.11 30.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -110.83 85.16 4.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.784 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' HB3' ' CE2' ' A' ' 152' ' ' PHE . 59.1 Cg_endo -71.94 149.33 53.07 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.599 2.199 . . . . 0.0 112.405 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -155.77 142.99 19.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -148.79 144.8 12.64 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.582 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -169.54 -166.17 28.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.33 177.27 8.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.42 -165.03 32.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.443 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 27.0 m -145.4 157.98 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.772 0.32 . . . . 0.0 111.155 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.584 ' HA ' HG23 ' A' ' 93' ' ' THR . 24.2 t-20 -113.91 136.15 53.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.992 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.407 ' CZ ' ' CG ' ' A' ' 144' ' ' TRP . 28.2 m-85 -121.05 141.81 50.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.762 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.89 114.14 7.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 m -148.01 164.34 34.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -97.77 151.46 20.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -130.38 172.09 12.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 60.78 159.26 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -156.78 175.01 14.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.536 ' OD1' HD21 ' A' ' 76' ' ' LEU . 0.4 OUTLIER -102.59 27.04 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.9 tt -146.07 -54.55 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.811 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.897 ' HB1' ' HD2' ' A' ' 130' ' ' ARG . . . -64.45 150.35 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.975 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.63 -36.59 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.096 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -92.21 42.44 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.214 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.897 ' HD2' ' HB1' ' A' ' 127' ' ' ALA . 3.0 mpp_? -81.09 -34.36 32.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.773 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 -57.49 12.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.58 -30.99 67.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.092 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.55 -24.6 66.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.16 -15.15 33.4 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.673 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.86 161.15 27.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.351 . . . . 0.0 110.841 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.88 -53.59 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 13.2 p -163.63 163.04 24.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 16.2 ttt -141.62 114.37 8.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.35 134.95 34.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 7.1 tp -98.45 -42.87 7.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -72.98 156.41 38.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.44 36.26 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.3 m -129.64 111.06 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . 0.407 ' CG ' ' CZ ' ' A' ' 118' ' ' TYR . 19.8 p90 -124.45 132.03 53.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.843 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 171' ' ' ILE . . . -82.63 156.0 34.41 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.637 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.99 120.21 23.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.792 0.33 . . . . 0.0 110.741 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -108.07 151.4 25.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -139.87 152.72 22.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.423 ' HG3' ' CE2' ' A' ' 167' ' ' TRP . 0.0 OUTLIER -145.72 117.24 8.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.35 118.38 8.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.019 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -166.25 -144.91 4.26 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.767 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.419 ' CE2' ' HB3' ' A' ' 110' ' ' PRO . 16.7 m-85 -136.15 176.98 8.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 110.964 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -140.19 117.52 11.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.817 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -112.18 85.68 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.008 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.487 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.8 ptt? -84.62 152.8 23.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.027 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.9 mp -108.7 -28.15 9.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.812 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.06 4.33 4.22 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.536 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.39 -48.11 9.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.0 0.428 . . . . 0.0 110.478 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 9.8 t-80 -135.14 -35.62 0.83 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.965 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.673 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -163.97 -173.04 3.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.604 HD12 HD21 ' A' ' 163' ' ' ASN . 0.2 OUTLIER -116.85 163.94 15.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.963 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -110.82 134.42 52.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.604 HD21 HD12 ' A' ' 161' ' ' LEU . 3.4 m-80 -128.21 111.33 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -123.54 124.57 43.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.592 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.64 170.86 19.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.931 0.396 . . . . 0.0 111.467 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.665 HG12 ' O ' ' A' ' 198' ' ' VAL . 33.3 m -96.93 129.29 47.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.776 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.469 ' O ' HG11 ' A' ' 198' ' ' VAL . 0.1 OUTLIER -114.73 142.18 46.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 -179.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -141.66 153.54 44.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.738 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 103.12 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.911 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.98 119.62 22.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.981 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.426 ' HA ' ' CA ' ' A' ' 145' ' ' GLY . 32.4 pt -76.8 129.07 37.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.068 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -126.67 147.29 49.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 6.0 p -134.95 154.25 51.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.918 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.8 39.78 1.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -116.57 -58.23 2.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.4 t -75.83 81.0 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.459 ' O ' HD12 ' A' ' 177' ' ' ILE . 1.8 pp -122.66 112.73 35.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 29.2 m-80 -85.52 122.08 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 74.25 133.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -71.48 -47.8 0.47 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.38 2.054 . . . . 0.0 112.343 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 7.8 m -167.22 31.17 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.076 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 179.49 82.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 5.8 tt -159.87 126.91 4.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 68.22 130.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 185' ' ' VAL . 6.0 m -125.53 88.61 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.7 85.12 5.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.931 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -135.6 22.21 3.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.084 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.9 m -164.73 31.85 0.07 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.84 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 3.9 mtpm? -131.5 151.87 51.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.054 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.573 ' O ' HG12 ' A' ' 190' ' ' VAL . 14.0 t 70.96 8.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.709 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 48.79 -173.24 0.02 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.855 0.36 . . . . 0.0 111.257 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.2 p -81.34 127.21 39.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.99 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.75 164.77 25.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 30.6 m -83.64 -179.71 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.032 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.19 161.23 24.83 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.53 108.82 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.581 2.187 . . . . 0.0 112.29 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 197' ' ' TRP . 0.0 OUTLIER -90.81 98.15 11.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.967 -179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.665 ' O ' HG12 ' A' ' 166' ' ' VAL . 28.5 t -101.23 135.25 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.002 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -142.74 140.21 31.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -134.48 143.29 47.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.81 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 201' ' ' ILE . 2.7 pp -134.85 147.91 29.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.281 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -165.41 -165.53 22.89 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.478 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -122.0 -178.09 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.673 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -154.66 164.41 31.64 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.494 ' HB2' HD13 ' A' ' 9' ' ' ILE . 5.5 m-85 -135.99 143.11 44.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 14.4 ttpp -105.49 113.99 27.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -69.76 159.83 32.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 5.8 mp -83.12 142.3 31.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.783 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -140.74 119.09 12.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.842 0.353 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -128.6 -52.76 1.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -147.46 138.38 23.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -78.99 115.95 18.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.58 5.14 34.27 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.818 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.04 126.9 24.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.846 0.355 . . . . 0.0 111.028 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -89.93 121.03 31.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.956 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.506 HG23 ' HA ' ' A' ' 206' ' ' LYS . 22.0 mt -133.29 142.04 42.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.414 ' CG1' ' CE1' ' A' ' 49' ' ' PHE . 3.7 mp -106.22 135.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.041 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -128.59 102.07 6.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.57 -168.46 44.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.536 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.79 165.69 17.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.581 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CG ' ' HG ' ' A' ' 45' ' ' LEU . 11.2 t80 -162.79 157.29 21.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.65 162.92 27.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.4 p -82.16 79.06 8.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 28.3 m -76.79 176.19 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.68 146.23 35.15 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.78 135.56 57.38 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.529 2.153 . . . . 0.0 112.27 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -160.43 30.85 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -78.18 -31.4 49.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.7 t -161.41 129.46 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.4 m -137.95 104.54 5.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.915 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 91.7 p -108.57 -27.42 9.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 44.83 44.12 7.5 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.389 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 33.6 mt -103.69 -51.99 8.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.2 tmtp? -118.7 31.04 6.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' HG ' ' N ' ' A' ' 28' ' ' ASP . 8.2 tp -121.12 160.57 23.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.519 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 3.0 p30 -137.59 130.49 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.06 -152.52 9.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.481 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -172.01 154.98 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 111.115 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 mttm -144.76 142.37 29.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -102.11 30.69 4.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.5 mmt85 64.17 -79.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.2 66.74 3.58 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.6 m -94.19 -51.92 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.838 0.352 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.13 85.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -112.8 -179.7 3.73 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.09 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.8 p -110.35 166.17 11.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.931 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' N ' ' A' ' 40' ' ' ASP . 27.8 m -122.89 -43.24 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.443 ' N ' HG23 ' A' ' 39' ' ' VAL . 4.2 m-20 -117.44 127.15 53.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 70.1 m -130.38 -61.11 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -165.71 137.67 4.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.08 -43.57 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.83 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.75 156.09 17.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HG ' ' CG ' ' A' ' 13' ' ' PHE . 7.7 mp -90.6 163.47 14.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.465 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -86.19 142.95 19.28 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.32 144.37 49.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 61' ' ' LEU . 0.6 OUTLIER -137.18 145.51 43.8 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.036 -179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.414 ' CE1' ' CG1' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -123.39 108.93 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 179.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.3 t -102.85 149.11 24.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.296 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -123.16 92.23 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.737 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -63.01 131.41 48.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.005 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 15.5 t80 -117.98 162.84 17.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.616 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -58.25 161.59 4.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.75 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.439 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.93 -61.05 0.36 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.012 179.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.77 40.33 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.603 -179.863 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.465 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.7 m-90 -107.76 162.59 13.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.967 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -171.16 146.18 9.41 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.458 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 25.9 t -131.56 111.98 20.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.795 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -119.98 149.38 42.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.302 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 48' ' ' THR . 5.8 mp -130.66 129.47 42.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.728 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.0 t -95.12 135.3 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.276 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 130.05 2.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.556 ' O ' HD11 ' A' ' 90' ' ' LEU . . . -128.36 168.97 14.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.207 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 66' ' ' PRO . 0.1 OUTLIER -64.53 147.91 97.06 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 65' ' ' THR . 45.5 Cg_endo -68.44 156.14 66.66 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.564 2.176 . . . . 0.0 112.273 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -162.11 33.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -94.33 -60.76 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.14 162.78 13.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.67 160.37 40.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 16.6 m -136.63 158.43 37.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.545 ' O ' HD12 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -99.66 161.8 13.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.4 t -110.44 -30.58 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -89.99 52.53 2.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.85 -30.05 3.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.589 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER 61.01 83.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.922 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 160.48 68.25 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.536 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.94 175.29 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.537 2.158 . . . . 0.0 112.328 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -94.18 169.23 29.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.419 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 60.3 87.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.795 0.331 . . . . 0.0 110.836 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.02 98.38 8.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.98 -166.55 21.66 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.59 87.53 2.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.768 0.318 . . . . 0.0 110.89 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.84 108.66 21.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.826 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -110.7 162.43 14.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.1 t0 60.91 68.48 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.933 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -72.78 163.09 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -152.48 117.37 5.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.31 -167.97 0.28 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.556 HD11 ' O ' ' A' ' 64' ' ' ALA . 0.5 OUTLIER -76.24 112.21 19.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.765 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -77.01 160.13 33.67 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.484 2.123 . . . . 0.0 112.414 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -105.52 110.58 22.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.0 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 3.8 m -87.69 137.68 32.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.6 mp -132.14 127.16 35.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.637 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' HA ' ' HA2' ' A' ' 115' ' ' GLY . 0.6 OUTLIER -132.56 134.41 44.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.918 0.39 . . . . 0.0 111.234 -179.745 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 mp -87.94 124.48 33.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.56 137.02 41.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.437 ' HH ' ' HE1' ' A' ' 57' ' ' TRP . 20.5 m-85 -136.69 144.15 43.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.663 179.689 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -117.05 83.27 14.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.28 -52.12 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.757 2.304 . . . . 0.0 112.504 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.418 ' HE3' ' HB3' ' A' ' 110' ' ' PRO . 5.5 ptt? -120.19 33.05 5.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.151 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -109.69 114.51 3.93 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.343 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 149.23 43.1 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.262 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 p -135.03 -170.41 2.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.768 0.318 . . . . 0.0 110.432 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.3 19.24 1.24 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.359 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 p -82.09 130.14 35.0 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 120.759 0.314 . . . . 0.0 110.799 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -53.53 -62.95 1.32 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' A' ' 108' ' ' PHE . 12.7 p90 -70.94 119.76 15.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.601 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.35 107.14 17.81 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.168 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HB3' ' HE3' ' A' ' 101' ' ' MET . 59.6 Cg_endo -71.94 153.18 58.12 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.445 2.097 . . . . 0.0 112.016 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.512 ' OH ' ' HB2' ' A' ' 165' ' ' ALA . 15.1 p90 -163.61 146.28 9.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.072 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 98' ' ' TYR . . . -153.93 155.05 25.92 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.243 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.32 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.667 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.1 mt -121.3 -178.89 3.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.72 0.295 . . . . 0.0 110.815 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 95' ' ' LEU . . . -157.94 171.23 34.94 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.762 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 10.3 p -155.06 147.67 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 0.0 110.923 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -110.81 127.47 55.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -133.93 140.27 46.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 24.0 p -96.39 112.98 24.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.2 m -131.47 155.2 47.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -96.34 142.08 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -147.23 144.53 28.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -160.31 -55.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -169.0 -170.97 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -78.37 -31.9 48.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.79 132.55 53.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.848 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.49 177.8 8.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.2 -67.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -70.78 -35.75 72.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.4 ttp85 -72.13 -50.46 27.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 43.4 tttt -64.52 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.53 -42.0 95.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -93.35 -31.34 14.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.27 27.82 47.11 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -127.82 152.99 47.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.336 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.1 p -95.59 -42.56 8.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.943 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 6.0 t -173.18 160.22 4.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.91 -44.96 4.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -75.07 -31.3 61.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.974 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.42 -71.43 0.09 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 63.54 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.036 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 64.02 41.41 6.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.954 0.407 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.48 128.58 33.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.731 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 22.7 p90 -128.84 134.93 48.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.43 151.69 19.3 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.35 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.19 -174.55 2.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.869 0.366 . . . . 0.0 111.007 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -172.06 159.03 4.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -136.33 157.18 23.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.873 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.06 116.84 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.808 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.538 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 4.3 mp -149.82 133.32 16.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.081 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.47 -144.89 7.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.617 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -146.16 129.39 16.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.849 0.357 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -96.69 113.99 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.64 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.419 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 3.1 t80 -104.0 85.67 2.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.926 0.394 . . . . 0.0 111.217 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.538 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -76.66 142.46 40.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.948 179.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.89 -31.87 14.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.773 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 72.96 -0.43 3.38 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.803 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.54 -48.0 9.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.047 0.451 . . . . 0.0 110.408 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -134.41 -36.87 0.87 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.722 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.721 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -161.14 -173.04 3.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.787 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.538 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.9 pp -116.81 170.53 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.925 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.419 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -122.82 129.33 51.56 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.91 0.386 . . . . 0.0 110.92 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 62.3 t30 -120.53 122.78 41.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.98 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.402 ' HG3' ' CG1' ' A' ' 201' ' ' ILE . 0.3 OUTLIER -137.68 117.13 12.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.65 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.538 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -156.18 176.04 13.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.452 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.797 HG12 ' HB3' ' A' ' 199' ' ' TYR . 32.7 m -96.84 116.62 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.74 179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -95.4 110.21 22.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.168 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.47 128.46 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.516 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.9 mmt -68.81 163.96 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -83.18 167.14 18.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.088 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 171' ' ' ILE . 7.4 tt -109.23 118.3 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.166 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.6 122.43 40.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.834 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 54.0 p -84.78 167.02 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.83 -46.5 0.73 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -124.67 -46.46 1.87 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.4 m 60.07 90.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 6.6 pt -85.64 156.24 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -100.48 143.18 30.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 118.27 -120.05 4.58 Favored Glycine 0 CA--C 1.519 0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.473 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.94 114.53 3.76 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.457 2.105 . . . . 0.0 112.298 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.5 t -85.0 -37.27 20.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -123.13 148.57 45.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.2 176.99 8.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 135.75 143.01 4.62 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.4 t -94.93 -57.14 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.17 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -165.39 35.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -103.13 101.72 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.965 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 4.5 p -140.98 162.77 34.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.948 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.54 109.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.8 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 3.7 m -123.29 100.61 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.36 105.78 15.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 11.1 m -102.0 -38.11 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.109 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -178.65 -39.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.5 p -168.03 136.51 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -77.1 141.08 66.78 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.33 95.41 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.446 2.097 . . . . 0.0 112.385 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . 0.48 ' CZ3' HG11 ' A' ' 166' ' ' VAL . 0.9 OUTLIER -92.43 105.12 17.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 3.8 m -94.82 114.26 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.106 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.797 ' HB3' HG12 ' A' ' 166' ' ' VAL . 2.3 p90 -145.83 143.09 29.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.837 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.1 mtm -120.99 155.74 33.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 201' ' ' ILE . 3.0 mp -120.28 147.14 24.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.02 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -147.47 -167.1 12.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.562 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -153.4 150.57 28.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.807 0.337 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.721 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -155.23 -157.01 8.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.437 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -137.97 146.64 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.801 0.334 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.506 ' HA ' HG23 ' A' ' 8' ' ' ILE . 17.0 tttm -105.07 135.27 46.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -123.55 139.78 53.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -105.13 160.6 14.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.54 34.9 4.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.976 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.773 0.321 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -128.02 80.15 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -156.09 -177.57 6.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.458 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -85.14 139.77 31.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.053 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.41 ' O ' ' CE1' ' A' ' 7' ' ' PHE . . . 102.11 -1.98 51.18 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.756 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.94 150.37 29.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.823 0.344 . . . . 0.0 110.738 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CE1' ' O ' ' A' ' 5' ' ' GLY . 19.0 m-85 -119.01 115.45 24.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.032 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.504 HG23 ' O ' ' A' ' 205' ' ' TYR . 3.9 mp -124.9 128.18 73.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.747 ' CG2' HD21 ' A' ' 47' ' ' LEU . 1.9 mt -96.51 106.47 18.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.226 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.413 ' HA ' ' HA2' ' A' ' 204' ' ' GLY . 0.4 OUTLIER -96.53 160.32 14.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.711 179.789 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' CZ ' ' A' ' 203' ' ' PHE . . . -149.92 -162.38 10.44 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.606 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.438 ' HA2' ' HA2' ' A' ' 202' ' ' GLY . . . 170.61 154.7 9.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.535 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.1 t80 -87.01 167.02 14.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.44 117.96 11.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.04 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.32 111.73 4.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.9 m -98.32 -33.91 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -155.28 161.11 30.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.92 146.01 57.92 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.53 2.153 . . . . 0.0 112.318 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -97.12 -33.66 11.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -60.82 -53.65 54.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.74 157.55 29.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.9 m -90.04 132.33 35.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.63 154.66 33.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -130.2 172.86 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.709 HD12 ' HB2' ' A' ' 26' ' ' LYS . 2.2 pp -134.2 -42.66 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.303 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.709 ' HB2' HD12 ' A' ' 25' ' ' ILE . 22.7 tttt -109.26 132.5 54.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.911 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 28' ' ' ASP . 0.8 OUTLIER 61.1 157.22 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.537 ' N ' HD23 ' A' ' 27' ' ' LEU . 5.3 m-20 -66.14 144.81 56.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.46 133.2 11.73 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.437 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -156.55 93.48 1.39 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -117.65 43.36 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -165.6 -41.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.95 145.6 1.46 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.36 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.53 144.26 45.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.643 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.54 33.91 23.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 111.029 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -141.79 101.75 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.2 160.87 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.5 p -95.19 130.82 41.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.2 m -146.84 30.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.88 171.51 14.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -121.32 97.66 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.44 86.79 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.462 HG22 ' O ' ' A' ' 43' ' ' THR . 9.4 m -133.98 23.16 3.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.087 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.569 ' C ' HD22 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -93.76 155.07 17.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.569 HD22 ' C ' ' A' ' 44' ' ' GLN . 3.1 mm? -116.04 -178.39 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.436 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -75.03 143.12 30.49 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.361 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.747 HD21 ' CG2' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -131.0 144.96 51.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.683 0.278 . . . . 0.0 110.734 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.877 HG22 ' HA ' ' A' ' 62' ' ' VAL . 70.3 p -140.3 157.88 44.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.96 0.409 . . . . 0.0 111.112 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.5 120.32 38.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.688 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.85 127.4 53.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.2 m-85 -109.93 86.49 2.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.75 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.414 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -56.99 130.43 46.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.425 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -113.73 -176.46 2.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.122 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -54.14 153.42 5.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.066 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.9 -61.56 0.49 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.824 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 99' ' ' TYR . 0.3 OUTLIER 164.61 39.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.968 179.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CE2' ' HB3' ' A' ' 98' ' ' TYR . 0.8 OUTLIER -83.82 -174.86 5.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.632 179.778 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 168.28 121.42 0.57 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.597 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.917 HG22 HD23 ' A' ' 96' ' ' LEU . 22.1 t -101.72 111.75 32.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.854 0.359 . . . . 0.0 110.671 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.22 140.86 32.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.25 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.479 HD12 ' HG ' ' A' ' 94' ' ' LEU . 0.9 OUTLIER -127.29 132.72 50.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.641 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.877 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.4 t -91.32 125.53 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.264 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.15 131.08 2.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . -138.11 127.79 25.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.909 0.385 . . . . 0.0 111.216 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.7 m -142.15 131.38 12.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.807 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.35 108.09 0.27 Allowed 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.367 2.045 . . . . 0.0 112.168 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -110.15 145.81 36.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -159.25 101.86 1.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -113.46 141.13 47.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -86.87 -40.14 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 30.1 m -131.3 179.04 4.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.054 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -151.48 135.13 16.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 74' ' ' LYS . 21.5 t -59.07 158.77 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.125 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -99.02 36.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.54 -159.11 11.26 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.9 mt -112.16 153.57 26.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -100.04 97.28 1.74 Allowed Glycine 0 CA--C 1.519 0.307 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.17 102.64 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.541 2.161 . . . . 0.0 112.307 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.73 -179.17 28.07 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 tp -139.37 104.68 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.821 0.343 . . . . 0.0 110.825 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -131.17 176.46 8.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -130.44 175.41 19.31 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.409 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.93 144.28 26.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.499 HD13 ' CB ' ' A' ' 92' ' ' ALA . 6.4 tp 60.81 79.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.27 -52.7 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.62 35.87 2.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.468 HG22 HD11 ' A' ' 90' ' ' LEU . 1.5 pt -80.73 136.03 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.59 -33.58 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.504 ' H ' HD23 ' A' ' 90' ' ' LEU . 37.0 tp60 -166.7 76.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.504 HD23 ' H ' ' A' ' 89' ' ' GLN . 0.3 OUTLIER -169.61 126.67 0.79 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.78 170.1 20.4 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.463 2.109 . . . . 0.0 112.273 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.499 ' CB ' HD13 ' A' ' 84' ' ' LEU . . . -142.27 104.95 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.029 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.1 m -101.72 146.15 28.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.479 ' HG ' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -124.79 148.13 48.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.69 179.89 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.634 HD13 ' HG3' ' A' ' 149' ' ' GLU . 4.5 tt -159.2 123.95 4.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 0.0 111.38 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.917 HD23 HG22 ' A' ' 59' ' ' VAL . 1.4 mt -91.96 115.71 28.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.392 179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -101.97 149.96 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.009 0.433 . . . . 0.0 111.346 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 57' ' ' TRP . 25.8 p90 -150.09 138.61 20.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.605 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.443 ' CD1' ' HB2' ' A' ' 56' ' ' LYS . 36.0 p90 -49.2 106.55 0.64 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.214 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.06 -47.36 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.397 2.065 . . . . 0.0 112.23 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.37 26.3 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -73.98 117.71 5.76 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.455 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 145.16 44.31 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.246 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.5 -170.58 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.709 0.29 . . . . 0.0 110.612 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -84.47 19.26 1.99 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.448 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . 52.9 p -79.04 135.98 37.04 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.842 0.353 . . . . 0.0 110.807 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.83 -32.65 46.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.075 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.436 ' CZ ' ' HB2' ' A' ' 106' ' ' SER . 24.6 p90 -73.22 151.7 41.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -100.53 96.98 5.86 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.04 137.47 41.06 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.451 2.101 . . . . 0.0 112.235 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -141.79 138.02 31.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.818 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -152.86 150.3 22.05 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.386 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 173.83 -164.85 36.44 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.744 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.2 pp -146.56 179.31 7.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.718 0.294 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -179.2 -164.98 32.72 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.69 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 117' ' ' ASN . 33.1 t -113.32 154.24 14.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.773 0.32 . . . . 0.0 111.037 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.409 ' N ' HG12 ' A' ' 116' ' ' VAL . 1.6 t-20 -120.91 128.57 52.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.86 104.13 7.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.6 t -136.31 149.97 48.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.9 p -104.85 161.98 13.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 10.2 p90 -128.33 135.27 49.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -64.23 158.5 23.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -95.49 143.01 27.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.595 ' OE2' ' HB3' ' A' ' 127' ' ' ALA . 4.7 pt-20 -92.43 130.21 38.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -72.85 -44.42 61.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.04 -66.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.595 ' HB3' ' OE2' ' A' ' 124' ' ' GLU . . . -79.65 177.64 8.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 45.2 m -98.69 -178.67 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -144.34 176.21 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 10.0 mtm-85 -70.51 -51.08 31.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -62.99 -30.78 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -66.86 -14.54 62.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.42 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -95.91 29.98 2.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.759 0.314 . . . . 0.0 111.12 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.99 30.77 70.72 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.557 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -118.02 102.39 9.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.914 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.2 m -100.54 -58.15 1.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.28 149.37 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.936 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.2 mmt -146.85 -60.62 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -147.79 -47.34 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.57 ' N ' HD22 ' A' ' 140' ' ' LEU . 2.5 mm? -84.43 172.15 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.776 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -75.65 -77.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.939 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -153.38 -68.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.967 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 54.8 p -172.04 131.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . 0.552 ' HH2' HD12 ' A' ' 140' ' ' LEU . 41.7 p90 -159.01 172.54 18.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.977 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -164.37 -172.47 31.88 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.512 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.81 122.36 42.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 111.022 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 156.51 17.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.024 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -131.08 138.27 10.05 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.719 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.634 ' HG3' HD13 ' A' ' 95' ' ' LEU . 56.0 mt-10 -134.69 116.86 15.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.338 . . . . 0.0 110.75 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.818 HD23 ' HA3' ' A' ' 112' ' ' GLY . 4.6 mt -144.68 130.97 19.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 173.49 -145.02 8.04 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.583 -0.817 . . . . 0.0 112.69 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -142.2 169.48 17.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 110.786 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -137.28 115.16 11.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.691 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.406 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 8.9 t80 -104.74 85.66 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.144 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.542 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 7.4 ptt? -65.61 148.35 51.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.03 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 10.5 mt -102.87 -36.98 8.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.765 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 3.9 t30 78.66 -2.51 2.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.724 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -85.32 -48.08 9.41 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.097 0.475 . . . . 0.0 110.473 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -134.81 -36.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.701 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.462 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -164.77 -172.95 2.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.631 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.9 pp -116.94 166.77 11.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.974 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.406 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -108.45 137.21 46.79 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 111.009 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.73 111.23 10.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 56.9 ttp -128.75 138.28 52.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.55 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -168.8 176.96 5.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.234 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.557 HG12 ' CD1' ' A' ' 199' ' ' TYR . 35.2 m -96.92 117.7 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.927 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -92.72 110.51 21.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.994 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.46 128.31 33.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.621 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -68.89 148.56 50.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.996 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -63.4 164.83 8.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 3.0 pt -132.03 120.31 43.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -92.62 140.3 29.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 34.6 p -94.27 111.08 22.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.822 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -129.96 31.04 4.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -72.57 88.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.05 -51.94 0.61 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.1 pt -100.93 127.61 53.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -64.69 118.51 9.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 110.12 93.56 2.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.69 148.81 15.08 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.586 2.191 . . . . 0.0 112.321 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 3.5 t -59.33 125.73 24.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -112.91 -75.14 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 4.5 tt 63.57 137.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.941 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -152.68 136.14 5.24 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.661 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 16.5 m -116.55 58.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.92 0.391 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.05 -32.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 25.1 mttt 73.07 86.13 0.11 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.832 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.536 ' HB ' HG22 ' A' ' 190' ' ' VAL . 0.0 OUTLIER -159.73 172.33 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.844 179.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -97.73 38.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.536 HG22 ' HB ' ' A' ' 188' ' ' THR . 11.7 m -128.85 108.62 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -113.06 37.72 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.69 153.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -139.13 129.52 25.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.806 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 10.9 p -119.54 149.61 22.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.068 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.97 116.9 67.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.36 -171.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.449 2.1 . . . . 0.0 112.182 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 7.0 m95 61.43 108.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.455 ' O ' HG12 ' A' ' 166' ' ' VAL . 31.5 m -121.23 135.79 60.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.557 ' CD1' HG12 ' A' ' 166' ' ' VAL . 6.5 m-85 -124.32 144.91 49.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -130.88 128.27 40.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.803 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 18.5 mt -105.07 144.45 14.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . 0.438 ' HA2' ' HA2' ' A' ' 12' ' ' GLY . . . -157.99 -167.76 19.36 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.653 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 11' ' ' GLY . 42.2 p90 -121.94 176.63 5.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.793 0.33 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.462 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -159.86 171.91 36.3 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.623 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.504 ' O ' HG23 ' A' ' 8' ' ' ILE . 11.0 t80 -155.26 153.13 30.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -110.46 129.8 55.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . 0.626 ' CD2' HD11 ' A' ' 9' ' ' ILE . 0.1 OUTLIER -82.9 133.83 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.937 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 12.4 mt -117.23 147.87 42.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.88 119.66 25.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 25.2 m80 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.933 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.79 0.329 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.9 t-80 60.7 79.53 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -163.77 165.7 22.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -73.76 116.6 14.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.418 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 106.7 5.25 36.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.839 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.503 ' OD2' HD11 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -59.66 123.68 17.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.837 0.351 . . . . 0.0 110.844 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.23 109.45 21.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.503 HD11 ' OD2' ' A' ' 6' ' ' ASP . 3.0 mp -131.9 117.62 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mp -103.37 132.84 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.03 164.49 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 157.33 138.31 2.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.523 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.63 -170.94 27.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.55 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.727 ' HA ' HD23 ' A' ' 45' ' ' LEU . 74.4 m-85 -66.47 155.5 37.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.881 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.84 164.28 38.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.89 79.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.047 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 33.4 m -88.85 173.83 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.7 139.61 31.37 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.43 159.73 5.86 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.473 2.116 . . . . 0.0 112.254 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -174.33 36.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -82.14 -31.18 30.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.37 114.73 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -92.1 -177.62 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.4 p -163.56 142.88 8.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.81 30.81 3.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.475 HG23 ' N ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -135.16 -45.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.475 ' N ' HG23 ' A' ' 25' ' ' ILE . 3.6 mtpp 71.76 132.53 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.005 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.37 80.66 1.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.786 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -128.1 158.43 38.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.09 75.24 1.76 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.23 165.28 20.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -170.5 -44.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -109.44 148.18 31.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 66.08 -72.71 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.08 135.87 4.23 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.509 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.3 t -77.62 147.65 35.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.842 0.353 . . . . 0.0 110.862 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -101.01 45.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.42 154.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.3 m -102.02 131.77 48.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 40' ' ' ASP . 10.9 p -128.54 -45.1 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.073 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.474 ' N ' HG13 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -71.55 114.38 9.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.846 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.3 m -149.04 94.97 2.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -149.01 153.48 37.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.3 p -126.57 -46.18 1.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -117.23 134.47 54.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.727 HD23 ' HA ' ' A' ' 13' ' ' PHE . 4.2 mt -116.48 154.19 30.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -118.58 142.53 16.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.528 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mp -122.18 151.05 41.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -148.39 143.3 26.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.023 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -113.73 117.39 31.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.682 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.4 m -107.89 131.21 54.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.111 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 7.1 t80 -122.85 90.37 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.637 179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.97 134.96 56.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.216 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -121.22 156.11 33.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.577 179.673 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -59.28 154.53 16.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.639 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.449 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 6.4 m-20 83.8 -60.84 0.11 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.312 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 159.79 43.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.314 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.414 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 30.2 m95 -127.92 -175.31 3.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.497 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 163.09 176.18 34.86 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.406 -0.902 . . . . 0.0 112.825 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 29.8 t -106.46 150.9 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.706 0.288 . . . . 0.0 111.022 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -138.6 118.92 13.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.963 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.674 ' O ' HG22 ' A' ' 48' ' ' THR . 0.9 OUTLIER -118.16 138.02 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.76 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.611 HG21 ' HE1' ' A' ' 167' ' ' TRP . 21.4 t -127.51 126.83 68.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.39 155.26 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.92 168.16 18.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.2 t -77.56 144.18 69.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.784 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.37 100.96 1.37 Allowed 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.52 2.147 . . . . 0.0 112.363 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -170.08 154.08 4.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 33.0 p-10 -148.53 177.05 9.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -121.29 37.48 4.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -139.1 93.67 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 17.3 m -113.77 -36.34 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.73 102.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.585 ' O ' HG12 ' A' ' 73' ' ' VAL . 15.8 t -102.41 31.33 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.081 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -108.43 -46.48 3.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.09 151.44 6.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.557 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -153.71 172.36 17.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.802 0.334 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.17 150.23 16.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.431 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.08 174.82 9.22 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.564 2.176 . . . . 0.0 112.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -129.52 53.84 0.8 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.504 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.8 mp 64.23 -79.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.17 144.22 45.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.817 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 102.65 146.34 17.36 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.496 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -135.36 -47.94 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.677 HD13 ' HB ' ' A' ' 87' ' ' ILE . 0.7 OUTLIER -88.5 -171.08 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.972 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -115.01 -70.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.461 ' O ' HG22 ' A' ' 87' ' ' ILE . 13.6 t70 -95.66 -69.83 0.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.946 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.677 ' HB ' HD13 ' A' ' 84' ' ' LEU . 5.3 tp 44.2 43.27 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 121.09 0.472 . . . . 0.0 111.507 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.7 -61.45 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.833 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -130.87 86.57 2.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.958 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mt -80.82 144.75 56.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -73.68 125.91 10.39 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.469 2.113 . . . . 0.0 112.406 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -159.08 146.99 17.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.031 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -119.81 135.23 54.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 mp -128.17 124.01 35.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.606 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 115' ' ' GLY . 0.9 OUTLIER -138.1 154.61 49.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -94.42 150.79 19.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -101.75 144.74 30.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.587 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.47 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 57.5 t80 -150.0 125.51 10.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.2 p90 -132.58 90.26 33.65 Favored Pre-proline 0 C--N 1.332 -0.189 0 CA-C-O 120.796 0.331 . . . . 0.0 111.285 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' HD3' ' CD2' ' A' ' 98' ' ' TYR . 72.3 Cg_endo -77.13 -44.3 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.676 2.251 . . . . 0.0 112.258 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 73.0 mtm -102.84 28.44 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -128.14 131.89 7.16 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.422 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 139.71 43.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.214 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.97 -170.43 3.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.784 0.326 . . . . 0.0 110.606 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -83.36 19.19 1.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.539 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 11.2 t -61.44 153.77 26.2 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.41 -52.83 56.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -96.7 146.71 24.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -116.75 87.6 22.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -69.3 148.8 68.85 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.507 2.138 . . . . 0.0 112.264 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -148.76 137.97 21.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.15 146.05 16.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.386 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -137.01 159.58 24.67 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.752 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -165.42 123.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.803 0.335 . . . . 0.0 110.703 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.595 ' N ' HD23 ' A' ' 95' ' ' LEU . . . -161.65 -164.83 17.34 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.559 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 31.8 m -115.78 159.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.813 0.34 . . . . 0.0 111.058 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.417 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 3.4 t-20 -130.86 126.9 37.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.406 ' CD1' ' N ' ' A' ' 118' ' ' TYR . 3.3 p90 -133.02 112.18 11.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.862 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.2 p -137.21 128.48 28.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.2 t -114.19 113.62 24.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -121.24 139.19 53.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.952 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -154.19 133.82 12.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -143.66 118.46 9.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -101.18 148.7 24.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.26 27.06 4.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.028 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 mt 59.86 90.69 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -99.58 135.39 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.75 32.69 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.986 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -143.59 -54.95 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.947 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 6.9 mtm-85 -69.48 -39.87 77.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -68.24 -31.23 70.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.6 -36.18 75.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -31.81 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 71.85 15.88 76.17 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.731 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -135.01 99.23 4.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 m -95.62 -57.03 2.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -155.41 175.89 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 49.8 mtp -128.1 31.44 5.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.42 115.27 5.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 pp -90.28 139.56 30.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.8 mp0 -83.9 117.55 23.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -141.46 83.43 1.86 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.61 134.96 16.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 30.0 p90 -109.41 141.48 41.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -88.97 173.27 41.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.408 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.04 132.75 36.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.808 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 117' ' ' ASN . . . -117.31 151.55 36.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -165.52 156.16 27.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.18 136.14 18.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.436 HD23 ' C ' ' A' ' 150' ' ' LEU . 7.5 tt -145.78 126.74 14.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.402 ' N ' HD23 ' A' ' 150' ' ' LEU . . . -168.05 -144.99 4.37 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.495 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -151.88 152.47 32.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -121.42 122.9 40.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.696 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.464 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 41.9 t80 -106.52 85.16 2.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.001 0.429 . . . . 0.0 111.217 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.918 ' HB2' HD22 ' A' ' 161' ' ' LEU . 1.5 ptt? -66.51 140.36 57.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.828 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.28 -36.96 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 77.42 -4.27 2.32 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.738 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -85.37 -48.01 9.44 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.034 0.445 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 25.4 p-80 -134.55 -35.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.626 ' C ' HD23 ' A' ' 161' ' ' LEU . . . -165.63 -172.91 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.918 HD22 ' HB2' ' A' ' 155' ' ' MET . 1.7 mt -117.0 169.3 9.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.804 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -113.21 138.87 49.34 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 111.1 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -131.73 110.33 10.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.753 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 87.8 mtp -130.75 126.89 37.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -163.86 164.54 23.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.883 HG13 ' O ' ' A' ' 198' ' ' VAL . 23.6 t -97.02 122.6 48.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.611 ' HE1' HG21 ' A' ' 62' ' ' VAL . 0.9 OUTLIER -89.93 149.14 22.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.892 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -130.38 101.86 5.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.3 mtp -99.11 133.74 42.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -130.91 132.78 45.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 15.0 pt -132.76 130.25 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -96.35 119.11 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 75.3 p -90.93 136.27 33.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 13.1 mttt 68.81 -66.71 0.23 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . 61.39 96.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.476 ' O ' HD13 ' A' ' 177' ' ' ILE . 90.9 p -83.38 -178.47 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.476 HD13 ' O ' ' A' ' 176' ' ' SER . 29.3 mm -123.05 147.05 27.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -93.51 129.59 39.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . 0.503 ' O ' ' HB2' ' A' ' 182' ' ' ALA . . . -151.44 -178.45 26.22 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.49 143.26 45.71 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.563 2.175 . . . . 0.0 112.32 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.5 m 60.94 32.67 19.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.995 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . 0.503 ' HB2' ' O ' ' A' ' 179' ' ' GLY . . . -90.01 168.8 11.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.424 HD23 ' N ' ' A' ' 184' ' ' GLY . 1.0 OUTLIER -142.93 159.05 42.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . 0.424 ' N ' HD23 ' A' ' 183' ' ' LEU . . . 162.72 101.36 0.16 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 185' ' ' VAL . 15.9 m -139.39 92.89 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.83 0.348 . . . . 0.0 111.145 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 60.12 74.24 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -140.32 163.88 31.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 1.6 m 60.33 89.11 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 6.4 mtpt -106.98 122.34 46.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.568 ' O ' HG13 ' A' ' 190' ' ' VAL . 11.2 p -162.68 112.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -107.18 -35.88 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.785 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.91 164.74 22.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.3 -58.11 0.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 194' ' ' VAL . 10.9 p -135.53 53.16 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . 0.53 ' OD2' HG12 ' A' ' 198' ' ' VAL . 0.4 OUTLIER -165.91 70.76 1.24 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.91 -61.83 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.591 2.194 . . . . 0.0 112.326 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -103.77 108.43 19.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.883 ' O ' HG13 ' A' ' 166' ' ' VAL . 6.8 m -88.25 106.25 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -146.13 141.18 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.44 ' CB ' ' CE3' ' A' ' 167' ' ' TRP . 3.3 tpt -130.43 123.53 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 7.9 tt -127.36 146.47 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -170.44 -160.94 20.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.416 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -122.48 -178.78 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.872 0.368 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.63 148.22 19.87 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -136.54 138.96 41.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.754 0.312 . . . . 0.0 110.929 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 10.8 ptpp? -109.02 141.04 41.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.86 145.59 24.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.2 tt -128.61 122.13 30.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -150.89 157.62 43.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 47.9 m80 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.898 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.811 0.339 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -110.32 72.44 0.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.41 -173.1 2.94 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.507 ' HB2' ' H ' ' A' ' 54' ' ' ALA . . . -69.01 148.84 49.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 94.89 -2.06 66.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.749 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.414 ' CB ' ' HB2' ' A' ' 52' ' ' MET . 0.4 OUTLIER -59.56 141.76 54.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -108.2 121.51 45.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.683 HG22 ' HA ' ' A' ' 206' ' ' LYS . 11.8 pt -144.62 144.81 21.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.455 HD11 ' CE2' ' A' ' 205' ' ' TYR . 1.9 pp -113.96 145.67 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.249 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.562 ' NE ' HD11 ' A' ' 161' ' ' LEU . 12.6 mmt85 -131.39 112.56 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.92 -178.79 35.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.417 ' HA2' ' CA ' ' A' ' 202' ' ' GLY . . . 165.99 152.86 7.41 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.688 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -56.79 144.77 31.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.36 48.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.8 m 57.88 106.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 p -170.15 146.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -124.65 113.68 27.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.87 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.5 173.12 9.31 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.497 2.131 . . . . 0.0 112.392 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -96.58 32.18 2.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.048 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.78 -45.72 8.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.902 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.5 p -84.59 67.84 10.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.61 134.85 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -166.41 102.46 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -165.25 143.08 6.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 26.9 mt 63.93 88.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.086 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -115.04 82.21 1.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -120.75 145.4 47.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -75.75 -38.08 58.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -68.96 71.96 0.4 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.25 113.51 4.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.761 0.315 . . . . 0.0 111.125 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.44 31.39 3.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -128.57 150.32 50.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.87 -41.89 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.17 80.76 0.71 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.474 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 14.5 m -92.14 128.2 37.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.907 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.3 mptt -127.53 -45.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.09 31.16 19.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 m -164.0 155.13 15.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG23 ' N ' ' A' ' 40' ' ' ASP . 13.9 m -141.01 -47.16 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.134 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' N ' HG23 ' A' ' 39' ' ' VAL . 22.5 t70 -94.66 97.77 10.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 m -76.46 90.12 3.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -89.81 149.32 22.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.5 m -121.95 -56.96 1.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -129.42 137.23 50.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -60.19 157.1 13.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -75.14 154.1 45.9 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.527 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.16 134.33 55.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.835 0.35 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.626 HG23 HG12 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -114.73 136.07 53.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -101.04 116.04 31.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.2 146.03 31.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.983 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.34 107.04 6.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.703 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.414 ' HB2' ' CB ' ' A' ' 6' ' ' ASP . 16.6 mtt -69.75 127.89 34.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 2.2 m-85 -118.28 165.44 13.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.507 ' H ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.92 154.03 19.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.793 -179.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.8 OUTLIER 79.4 -61.41 0.32 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.904 179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.4 OUTLIER 162.37 44.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.958 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.407 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 1.2 m-90 -102.51 144.8 30.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.196 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -145.35 125.35 2.31 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.254 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.616 ' HA ' HD23 ' A' ' 96' ' ' LEU . 21.6 t -101.77 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -104.47 139.69 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.219 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD11 ' HG ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -136.81 107.62 6.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.382 179.628 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.626 HG12 HG23 ' A' ' 48' ' ' THR . 32.3 m -90.78 119.5 38.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 111.455 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.18 -175.32 3.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.838 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.697 ' HB2' ' HG3' ' A' ' 89' ' ' GLN . . . -78.32 166.13 23.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.973 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.1 m -60.78 135.71 92.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.69 145.65 37.28 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.476 2.117 . . . . 0.0 112.333 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -128.66 134.84 48.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -66.46 136.59 55.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.09 96.41 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.88 -64.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.7 p -137.28 146.53 27.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -175.67 -48.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.9 m -114.42 142.95 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.6 mtmt -115.98 -38.99 3.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -123.59 110.38 1.48 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.532 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.6 mp -63.88 159.44 19.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.37 . . . . 0.0 110.788 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.97 96.71 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.85 145.79 69.81 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.506 2.137 . . . . 0.0 112.372 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 125.64 -54.26 0.76 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 80' ' ' LEU . 4.0 mm? -87.63 -37.82 16.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.732 0.301 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.09 157.91 16.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.61 107.07 2.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.67 -65.08 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.58 160.12 42.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -99.79 150.02 22.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -115.59 25.98 10.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.9 mp -142.08 116.83 5.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 25.91 7.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.978 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.697 ' HG3' ' HB2' ' A' ' 64' ' ' ALA . 0.0 OUTLIER -119.68 173.42 7.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.567 179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.575 HD13 ' H ' ' A' ' 122' ' ' PHE . 12.8 mt -159.52 -65.43 0.02 OUTLIER Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.344 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.451 ' CD ' ' HB2' ' A' ' 90' ' ' LEU . 38.5 Cg_endo -66.47 167.85 17.8 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.363 2.042 . . . . 0.0 112.533 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.0 148.81 22.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.877 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.669 HG23 ' HA ' ' A' ' 117' ' ' ASN . 86.9 m -132.54 143.81 49.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.633 ' N ' HD12 ' A' ' 94' ' ' LEU . 3.6 mp -115.64 143.13 45.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.759 HD13 ' HG3' ' A' ' 149' ' ' GLU . 0.1 OUTLIER -149.46 142.95 25.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.153 -179.813 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD23 ' HA ' ' A' ' 59' ' ' VAL . 58.2 mt -118.53 111.15 18.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.244 179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.82 153.18 20.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.985 0.422 . . . . 0.0 111.107 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.525 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 19.9 m-85 -122.59 140.36 52.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.752 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 56' ' ' LYS . 3.4 p90 -123.77 87.3 52.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -66.35 -51.74 1.0 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.561 2.174 . . . . 0.0 112.415 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.36 -27.05 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -61.55 118.44 14.8 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.377 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.66 44.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.202 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.667 HG23 ' H ' ' A' ' 106' ' ' SER . 10.2 t -144.48 -170.38 3.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 110.667 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -84.07 19.11 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.54 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.667 ' H ' HG23 ' A' ' 104' ' ' THR . 6.6 t -86.64 153.95 21.38 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.781 0.324 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -82.22 -30.33 30.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -77.37 131.48 38.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -128.34 90.35 47.17 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.422 ' HA ' ' HA ' ' A' ' 152' ' ' PHE . 55.4 Cg_endo -70.19 146.5 57.74 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.611 2.208 . . . . 0.0 112.372 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -143.79 137.99 28.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.836 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.67 136.65 5.48 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.447 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.76 ' C ' HD22 ' A' ' 114' ' ' LEU . . . -179.15 -164.78 32.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.996 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.76 HD22 ' C ' ' A' ' 113' ' ' GLY . 4.3 mm? -133.57 -178.82 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.725 0.298 . . . . 0.0 110.897 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.99 -164.89 32.45 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.715 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.39 143.82 39.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.783 0.325 . . . . 0.0 110.949 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.669 ' HA ' HG23 ' A' ' 93' ' ' THR . 0.8 OUTLIER -108.91 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.959 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -106.36 128.16 53.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.36 104.05 11.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 46.2 m -116.84 128.3 55.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.815 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -126.79 134.75 50.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.575 ' H ' HD13 ' A' ' 90' ' ' LEU . 2.4 m-85 -91.04 -173.61 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.783 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.35 163.58 25.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.47 ' HB2' ' HB3' ' A' ' 127' ' ' ALA . 4.8 mm-40 -81.77 150.83 27.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -86.81 -42.49 13.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tp -73.56 -47.2 42.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.791 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 124' ' ' GLU . . . -72.03 166.12 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 61.8 m 60.44 161.46 0.05 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.94 -51.1 2.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -64.71 -39.2 93.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -75.57 -25.87 57.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -79.24 -1.64 37.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.683 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -91.34 30.05 1.34 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.645 0.26 . . . . 0.0 111.4 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.76 44.93 3.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.598 179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -135.0 83.3 2.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -52.64 4.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.96 164.29 26.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 5.5 ttm -110.56 25.06 12.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.96 -71.73 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -108.24 -178.61 3.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.982 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -130.45 -174.02 3.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.47 -57.44 3.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -162.65 171.08 17.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 42.0 p90 -134.45 161.76 34.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -97.44 163.84 21.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 12.3 mt -83.04 140.76 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -115.1 151.88 33.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.564 ' HA2' HD21 ' A' ' 95' ' ' LEU . . . -152.68 148.23 18.84 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.452 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.759 ' HG3' HD13 ' A' ' 95' ' ' LEU . 8.8 mt-10 -145.74 121.41 10.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 3.4 tt -142.23 118.74 10.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -175.29 -144.91 5.2 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.625 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 110' ' ' PRO . 29.2 p90 -150.53 149.4 29.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.812 0.339 . . . . 0.0 111.092 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.51 114.95 29.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.705 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 89.0 t80 -99.02 85.69 3.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.585 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.1 ptp -71.11 144.61 50.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.407 HD22 ' CG ' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -94.66 -34.45 12.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.755 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.1 t30 77.26 -0.94 2.83 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.678 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.407 ' CG ' HD22 ' A' ' 156' ' ' LEU . 11.2 mm-40 -85.44 -48.09 9.33 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.008 0.432 . . . . 0.0 110.525 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -136.75 -35.34 0.72 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.557 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -161.48 -172.81 3.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.585 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 3.6 pp -116.95 168.77 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.748 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -118.76 142.99 47.19 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.947 0.403 . . . . 0.0 111.108 -179.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -125.6 117.44 23.55 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.793 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.64 128.52 42.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.795 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -166.5 175.02 8.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.299 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.4 t -96.89 126.21 49.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.938 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.9 t90 -99.31 136.71 38.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.059 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -129.11 139.42 51.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.0 112.34 1.0 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.086 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.01 90.93 2.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.781 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 34.3 pt -79.42 133.26 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -106.45 97.13 6.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.5 t -152.42 164.05 38.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.848 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.17 178.81 6.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.791 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -103.26 155.91 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 67.9 m -60.0 104.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 21.7 mt -74.36 -30.99 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -102.5 115.12 29.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 74.55 74.15 0.88 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.465 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.39 -171.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.518 2.145 . . . . 0.0 112.324 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 9.0 t -106.73 -32.66 7.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -143.77 -178.17 5.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.1 141.88 39.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -175.16 -166.72 33.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.538 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.477 HG13 ' N ' ' A' ' 186' ' ' ASN . 12.3 p -128.38 -44.92 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.787 0.327 . . . . 0.0 111.111 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.477 ' N ' HG13 ' A' ' 185' ' ' VAL . 61.5 t-20 -62.18 115.61 4.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.32 -38.63 3.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 5.7 t -72.7 151.1 42.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.59 98.11 5.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.797 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.99 -53.33 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -64.72 91.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.71 104.22 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.03 106.99 11.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 194' ' ' VAL . 11.9 p -132.09 55.57 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -152.31 81.71 5.48 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.12 93.05 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.509 2.139 . . . . 0.0 112.314 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . 0.424 ' HA ' ' CE3' ' A' ' 197' ' ' TRP . 0.0 OUTLIER -98.77 47.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 24.4 m -95.38 164.78 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.093 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -137.64 154.07 49.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.783 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 4.0 tpt -114.03 127.52 55.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.536 ' O ' HG23 ' A' ' 201' ' ' ILE . 14.2 tt -147.09 114.96 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.995 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . 0.417 ' CA ' ' HA2' ' A' ' 12' ' ' GLY . . . -143.33 -167.15 11.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.68 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -160.48 131.56 5.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.797 0.332 . . . . 0.0 111.195 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.557 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -144.31 -156.99 7.01 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.48 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.455 ' CE2' HD11 ' A' ' 9' ' ' ILE . 9.7 p90 -158.93 143.71 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.683 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -88.52 140.99 28.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.04 154.73 27.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.9 tp -135.16 148.94 49.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.31 -46.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.929 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpp? . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.831 0.348 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -117.29 94.37 4.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.808 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.11 -168.91 2.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.45 134.08 45.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.42 1.66 50.47 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.83 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.61 122.76 28.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 110.772 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' O ' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -87.21 120.36 28.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.442 HD13 ' O ' ' A' ' 7' ' ' PHE . 27.7 mm -130.22 124.16 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 tt -99.55 150.37 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.8 ttp180 -135.38 149.38 49.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 164.75 138.73 2.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.838 ' O ' ' HG ' ' A' ' 45' ' ' LEU . . . -146.9 167.3 28.28 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.561 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -83.86 125.56 32.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.82 0.343 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.91 104.63 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.995 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 p -65.77 155.13 37.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.576 HG11 HG23 ' A' ' 43' ' ' THR . 15.3 m -144.66 133.67 18.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -136.8 100.48 9.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.97 167.55 21.29 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.395 2.063 . . . . 0.0 112.292 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 61.54 43.75 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.785 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -99.28 -49.65 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.0 p -147.69 -58.39 0.25 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.3 m 63.12 -79.53 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.57 174.32 9.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.838 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -97.25 -177.77 3.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.6 tp -63.4 -33.17 59.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.066 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -92.07 109.91 21.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -83.61 -43.27 15.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -69.79 150.28 47.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 145.64 -114.2 0.74 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.14 -45.02 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 111.077 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 tptm 61.59 33.31 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.36 87.19 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -91.99 -51.65 5.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 128.67 -40.41 1.72 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.56 90.9 3.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.794 0.33 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -133.56 149.53 51.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.82 97.58 4.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.135 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.0 p -138.62 128.95 25.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -123.14 -46.66 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 t0 179.41 -43.04 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.73 -36.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 73.47 96.8 0.07 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.964 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.576 HG23 HG11 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -128.96 23.03 5.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.983 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -84.3 129.71 34.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.929 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.838 ' HG ' ' O ' ' A' ' 12' ' ' GLY . 9.2 tt -72.56 128.55 35.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -95.34 137.39 13.4 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.551 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.3 mp -112.03 128.54 56.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.345 . . . . 0.0 110.74 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.699 HG23 ' C ' ' A' ' 61' ' ' LEU . 61.7 m -133.06 136.73 46.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.159 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -101.52 128.95 47.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.504 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 t -127.64 113.79 16.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.211 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.42 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 5.6 t80 -86.74 120.62 28.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.343 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.34 116.64 17.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.516 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 1.6 m-85 -102.67 168.87 8.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.921 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.9 150.23 2.31 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 74.29 -62.99 0.44 Allowed 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 115.604 -0.726 . . . . 0.0 110.667 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HB3' ' HB3' ' A' ' 99' ' ' TYR . 10.4 mttt 164.37 37.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.104 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.733 ' HZ2' HD23 ' A' ' 96' ' ' LEU . 4.3 t90 -99.4 179.02 4.71 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.701 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 166.19 165.18 23.12 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 119.793 -1.194 . . . . 0.0 113.405 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 m -115.53 112.2 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.79 131.39 42.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.083 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.699 ' C ' HG23 ' A' ' 48' ' ' THR . 6.2 tt -137.13 109.1 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.714 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.468 ' N ' HG23 ' A' ' 48' ' ' THR . 10.3 p -90.95 146.53 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -162.42 134.87 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -104.89 174.48 5.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.6 m -90.04 136.69 28.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.834 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -74.66 -168.13 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.457 2.105 . . . . 0.0 112.314 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -68.28 -54.9 14.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 59.31 105.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 18.5 t60 -165.78 122.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -107.39 169.1 8.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.817 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.56 ' O ' HG12 ' A' ' 71' ' ' VAL . 21.3 t 60.18 42.68 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -127.39 -55.86 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -136.84 136.4 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.79 -35.81 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.835 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.532 ' C ' HD12 ' A' ' 76' ' ' LEU . . . 89.62 -154.55 24.13 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 75' ' ' GLY . 5.2 mp -146.12 148.02 32.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -131.44 142.05 13.4 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -74.3 -39.74 1.46 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.555 2.17 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 104.53 28.08 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.542 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.65 140.76 37.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.89 106.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.72 85.26 1.79 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -128.78 121.52 28.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.896 0.379 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 22.3 mt -137.59 94.51 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.34 31.63 1.35 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.78 116.78 15.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 18.8 tt -82.3 144.72 9.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -88.58 -35.62 16.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.454 ' O ' HD22 ' A' ' 90' ' ' LEU . 0.3 OUTLIER 61.73 88.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.454 HD22 ' O ' ' A' ' 89' ' ' GLN . 1.9 mm? -127.84 83.16 66.86 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.81 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.03 145.03 34.85 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.614 2.209 . . . . 0.0 112.422 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.82 139.62 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.436 HG23 ' HA ' ' A' ' 117' ' ' ASN . 87.0 m -135.23 130.74 35.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD23 ' N ' ' A' ' 95' ' ' LEU . 8.4 tt -126.42 154.96 42.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' N ' HD23 ' A' ' 94' ' ' LEU . 2.3 pp -162.97 149.23 12.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.733 HD23 ' HZ2' ' A' ' 57' ' ' TRP . 6.3 mp -96.78 124.58 40.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.699 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -107.18 125.3 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.235 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.457 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 40.7 p90 -131.4 137.76 48.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.558 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.541 ' HB3' ' HB3' ' A' ' 56' ' ' LYS . 38.8 p90 -56.33 106.41 0.67 Allowed Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -70.52 -52.23 0.28 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.54 2.16 . . . . 0.0 111.92 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -121.93 -26.28 4.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.168 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -51.1 152.11 5.35 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.843 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.06 43.56 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.281 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 69.7 p -152.46 -170.66 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 110.61 -179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.5 19.15 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.593 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.0 p -63.55 161.4 14.7 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.817 0.341 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -76.57 -57.9 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.063 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -70.98 153.21 42.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -113.58 90.91 19.03 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.401 ' O ' ' CG ' ' A' ' 111' ' ' TYR . 31.8 Cg_exo -58.24 161.85 13.02 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.598 2.199 . . . . 0.0 112.341 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 110' ' ' PRO . 12.2 m-85 -166.18 138.01 3.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -151.96 157.85 27.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.468 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.33 -166.74 39.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.537 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.02 172.21 16.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.79 0.329 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.17 -164.93 28.52 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 32.5 m -120.23 140.0 45.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.436 ' HA ' HG23 ' A' ' 93' ' ' THR . 2.0 t30 -107.1 137.84 44.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -143.03 104.23 4.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 42.3 p -137.15 127.04 25.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 61.4 m -110.5 136.42 49.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -139.31 137.82 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.69 148.1 15.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -176.26 -43.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.25 151.08 23.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -96.45 -30.53 13.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.795 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 69.44 -66.06 0.28 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -74.49 165.18 25.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.219 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.5 t -79.04 -33.74 44.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.457 ' HB3' ' HB2' ' A' ' 132' ' ' ALA . 62.4 t30 -140.66 152.71 45.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -80.98 -46.19 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.67 -27.95 67.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 129' ' ' ASN . . . -56.54 -38.14 71.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.163 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -97.07 -30.35 13.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 84.77 24.61 45.0 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.494 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -135.11 132.94 38.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.98 -36.67 40.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.84 175.99 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.825 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 29.6 mtp -68.21 -75.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.959 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -158.17 30.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.762 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.62 150.47 45.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.82 -45.66 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -166.14 76.88 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.5 t -137.94 127.37 24.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 38.5 p90 -105.39 176.78 5.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -137.39 161.53 25.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.492 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.73 115.34 27.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.834 0.349 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.01 167.2 9.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.056 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -147.46 160.83 28.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.596 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -153.87 116.93 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.786 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.522 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 3.9 mp -143.92 133.5 23.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.28 -145.08 8.37 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -147.01 145.77 29.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -106.77 114.36 28.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -97.13 85.74 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.013 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.883 ' HB3' HD23 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -65.08 153.11 41.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 158' ' ' GLU . 0.4 OUTLIER -108.01 -41.33 4.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 78.81 -5.61 2.0 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.725 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.447 ' HB2' HD23 ' A' ' 156' ' ' LEU . 0.0 OUTLIER -85.48 -42.74 14.19 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.073 0.463 . . . . 0.0 110.551 179.669 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -143.05 -35.97 0.39 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.956 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.28 -172.98 3.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 155' ' ' MET . 2.0 mp -117.03 173.13 6.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.19 145.87 42.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -137.6 107.98 6.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.561 ' CG ' HG22 ' A' ' 201' ' ' ILE . 1.3 tmt? -125.81 126.18 44.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.817 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.522 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -161.32 176.44 11.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 198' ' ' VAL . 13.9 p -97.01 120.62 46.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 5.4 t90 -89.96 116.41 27.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.975 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -85.08 116.1 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.744 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.1 mmt -68.95 160.22 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.04 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -63.7 166.95 6.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 25.8 mm -123.42 123.23 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -103.73 144.58 31.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 11.2 m -124.97 125.96 44.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -158.19 96.86 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -164.7 112.26 1.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.064 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 83.2 p -140.43 39.47 1.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 30.1 mm -114.5 143.52 24.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -92.13 145.25 24.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 159.4 149.28 5.48 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.36 63.26 2.79 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.614 2.209 . . . . 0.0 112.223 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 21.8 m -78.03 -45.0 24.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.927 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . 60.42 158.11 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -152.33 133.98 14.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 144.87 -31.24 1.77 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.524 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 30.8 m -86.65 145.68 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.851 0.358 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -126.83 -48.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . 0.672 ' O ' HG23 ' A' ' 188' ' ' THR . 20.8 pttt -173.31 -41.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 187' ' ' LYS . 0.8 OUTLIER -167.63 72.74 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 59.31 -177.24 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.96 100.25 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -75.92 100.24 4.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.518 HG13 ' O ' ' A' ' 192' ' ' VAL . 12.4 p -78.27 116.62 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -112.47 -34.84 5.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' ' 194' ' ' VAL . 7.5 p -59.6 97.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.063 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -116.72 166.44 12.78 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 94.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.629 2.219 . . . . 0.0 112.325 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 26.3 m95 -84.58 164.57 18.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.96 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 166' ' ' VAL . 15.3 m -101.75 135.49 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.076 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -108.26 148.57 29.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.39 143.73 51.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.561 HG22 ' CG ' ' A' ' 164' ' ' MET . 42.1 pt -138.46 151.18 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -168.12 -163.35 21.91 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.55 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -121.99 171.12 9.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -148.45 163.99 29.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.544 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -145.93 139.19 26.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 135.09 54.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -105.23 156.62 17.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.17 144.04 26.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -162.17 -176.68 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.849 0.357 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -141.46 32.53 1.67 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -128.54 -167.1 1.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.562 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -83.98 125.8 32.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.131 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.71 2.3 27.23 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.82 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.401 ' CB ' ' HB3' ' A' ' 52' ' ' MET . 0.6 OUTLIER -71.6 148.75 46.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.783 0.325 . . . . 0.0 110.87 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -121.45 112.52 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 8' ' ' ILE . 3.7 mp -115.97 130.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 tt -101.67 138.06 27.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -132.1 157.18 44.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.81 142.05 3.4 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -140.62 170.93 24.26 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.526 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -149.93 -177.5 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.797 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.96 169.27 14.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 t -63.81 -25.62 68.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.147 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.1 p 43.32 94.25 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-O 121.032 0.444 . . . . 0.0 111.628 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 64.84 123.88 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.829 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.94 153.12 63.64 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.45 2.1 . . . . 0.0 112.334 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -148.65 31.43 0.8 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -72.2 -37.15 69.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.58 31.77 20.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.3 m -72.54 171.14 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.65 167.67 16.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.802 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -125.2 78.95 1.76 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.977 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.6 pt -105.75 31.08 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -116.39 89.51 3.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' HG ' ' H ' ' A' ' 28' ' ' ASP . 0.5 OUTLIER -91.6 -49.41 6.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.621 ' H ' ' HG ' ' A' ' 27' ' ' LEU . 1.6 p30 -96.66 138.87 33.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.01 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 156.27 81.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.62 115.47 16.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.851 0.358 . . . . 0.0 111.185 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -68.41 148.01 51.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.843 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -74.3 -40.51 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -66.91 -57.71 6.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.03 -113.68 4.66 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m 69.16 -66.06 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.774 0.321 . . . . 0.0 110.96 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.08 34.52 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -126.39 110.04 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.8 t -95.68 -40.09 9.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 39' ' ' VAL . 15.9 t 60.46 31.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.045 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -129.99 31.5 4.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.997 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.49 97.87 9.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.36 106.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 t -110.39 23.01 14.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.85 140.61 50.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.7 pp -121.65 -178.02 3.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.31 152.3 20.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.52 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.7 mp -132.86 145.07 50.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.911 HG22 ' HA ' ' A' ' 62' ' ' VAL . 72.9 p -140.23 159.89 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.961 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 3.9 m-85 -125.27 116.47 22.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.801 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.4 m -96.59 146.46 24.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.41 90.39 3.21 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.401 ' HB2' HD11 ' A' ' 8' ' ' ILE . 12.3 tpt -60.67 127.03 29.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.075 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -112.58 178.68 4.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -56.63 153.06 10.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.863 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 78.54 -61.78 0.35 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.706 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 0.1 OUTLIER 162.68 39.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.635 179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.814 ' CD1' HD21 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -88.87 169.84 11.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.716 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -174.92 119.98 0.75 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.696 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.668 HG22 ' HG ' ' A' ' 96' ' ' LEU . 25.1 t -106.14 111.86 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -104.19 134.73 46.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 94' ' ' LEU . 1.1 tt -114.47 138.09 51.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.747 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.911 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.2 t -99.0 133.12 42.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.05 128.15 2.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.26 179.97 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.1 p -81.37 144.12 53.03 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.69 -62.44 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.548 2.165 . . . . 0.0 112.349 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -104.05 -179.77 4.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -135.04 147.65 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.05 33.12 2.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -97.95 -59.75 1.7 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 26.6 t -127.68 104.34 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.08 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -169.22 164.87 11.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.0 t -74.57 137.77 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.037 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.21 42.75 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.95 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.13 144.85 4.65 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.529 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 59.93 104.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -64.66 166.03 31.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.64 -41.56 4.31 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.517 2.144 . . . . 0.0 112.349 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -153.4 -93.91 0.1 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.545 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 tt -127.22 114.07 17.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.78 0.324 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -86.62 117.82 25.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -116.6 -92.31 1.69 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.455 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.19 168.82 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -132.8 150.08 52.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.89 91.04 3.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.094 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -101.02 141.9 33.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.411 HD12 ' N ' ' A' ' 87' ' ' ILE . 3.9 mp -107.62 -57.99 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -171.64 90.3 0.12 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -122.95 31.01 6.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.96 140.55 29.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.801 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.63 141.13 40.97 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.421 2.081 . . . . 0.0 112.241 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -134.65 135.73 42.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.043 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 116' ' ' VAL . 33.5 m -132.35 126.13 32.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.453 HD11 HD11 ' A' ' 61' ' ' LEU . 4.2 mp -113.0 138.04 50.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.745 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' A' ' 149' ' ' GLU . 0.3 OUTLIER -150.91 142.21 23.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.025 -179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.814 HD21 ' CD1' ' A' ' 57' ' ' TRP . 1.7 tt -112.92 119.71 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.641 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.486 ' HA ' ' HA3' ' A' ' 113' ' ' GLY . 1.1 pt20 -117.15 154.16 31.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.008 0.432 . . . . 0.0 111.148 -179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 46.0 p90 -115.86 144.54 43.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.815 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -101.36 97.11 6.9 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.011 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.46 -38.12 11.9 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.436 2.09 . . . . 0.0 112.395 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 mmt -120.65 32.72 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -111.39 100.85 1.24 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.478 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 154.82 44.46 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.188 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -151.88 -170.73 3.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.809 0.338 . . . . 0.0 110.575 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -87.08 19.19 3.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.418 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.1 m -70.02 -177.92 1.47 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.81 0.338 . . . . 0.0 110.834 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -103.03 -57.3 2.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -83.94 137.98 33.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.948 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' CG ' ' HB3' ' A' ' 153' ' ' ASP . 4.1 pt20 -117.09 94.09 43.93 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -74.65 141.47 27.79 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.572 2.181 . . . . 0.0 112.739 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -151.52 153.02 33.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.468 179.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.465 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -160.05 156.84 28.1 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.267 -0.968 . . . . 0.0 113.034 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . 175.25 -164.82 35.48 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.652 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -129.32 -179.02 4.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.629 ' O ' HD13 ' A' ' 146' ' ' LEU . . . 177.83 -172.29 44.91 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.451 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 93' ' ' THR . 26.4 m -116.51 150.77 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.793 0.33 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.832 ' HB2' ' HB2' ' A' ' 147' ' ' ALA . 20.7 t-20 -131.33 126.09 34.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.447 ' CE1' ' CH2' ' A' ' 144' ' ' TRP . 69.6 t80 -143.0 112.06 6.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.76 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 3.4 t -118.63 137.4 53.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.4 t -118.84 106.06 12.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -136.09 156.66 48.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -81.45 132.86 35.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -63.91 -39.67 94.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 24.3 mp0 -142.99 111.09 6.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -84.35 -44.95 13.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.05 90.74 5.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.837 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -77.76 121.53 24.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.071 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.8 -39.29 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.659 ' HB3' ' HB2' ' A' ' 132' ' ' ALA . 39.0 t30 -140.07 119.38 12.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -69.76 -30.26 67.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -21.77 46.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.659 ' HB2' ' HB3' ' A' ' 129' ' ' ASN . . . -53.75 -41.97 67.69 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.817 0.341 . . . . 0.0 111.356 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -94.4 -32.59 13.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.05 41.96 96.75 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -93.53 96.86 10.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.745 0.307 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.04 -35.92 25.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.0 m -102.46 133.67 47.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.1 mmt -64.77 166.42 8.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.838 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 24.1 mtpp -106.96 177.41 4.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.98 136.6 54.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -88.37 92.4 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -143.59 84.25 1.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.0 m -145.81 90.97 2.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . 0.447 ' CH2' ' CE1' ' A' ' 118' ' ' TYR . 1.8 m-90 -106.95 127.29 53.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.741 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -120.74 171.57 14.79 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.537 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -97.54 126.55 42.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.77 0.319 . . . . 0.0 110.827 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.832 ' HB2' ' HB2' ' A' ' 117' ' ' ASN . . . -109.34 162.99 13.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.092 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.406 ' N ' ' HB2' ' A' ' 168' ' ' TYR . . . -156.87 170.28 34.21 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.574 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.629 ' HB2' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -156.09 132.86 10.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.92 0.39 . . . . 0.0 110.874 -179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.465 HD23 ' HA3' ' A' ' 112' ' ' GLY . 1.9 mt -150.74 127.48 10.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.848 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 171.87 -144.93 8.38 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.608 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 27.0 p90 -160.94 156.92 25.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.778 0.323 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.402 ' HB3' ' CG ' ' A' ' 109' ' ' GLN . 10.1 t70 -109.96 114.61 28.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.446 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 29.1 p90 -105.53 94.66 5.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.583 ' HB3' HD23 ' A' ' 161' ' ' LEU . 7.3 ptt? -77.23 147.28 36.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 11.0 mp -89.85 -21.73 22.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.581 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 14.8 m-80 68.24 5.86 4.95 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.889 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.8 -48.65 8.59 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.11 0.481 . . . . 0.0 110.477 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -143.66 -33.86 0.42 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.29 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -150.42 -172.22 4.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.828 0.347 . . . . 0.0 111.352 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 155' ' ' MET . 3.8 mp -116.0 163.47 15.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.606 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.402 ' CE1' HD11 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -118.3 130.77 56.22 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.915 0.388 . . . . 0.0 111.177 -179.634 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.73 136.97 49.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.883 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.65 127.8 12.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.814 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.49 169.24 10.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 166' ' ' VAL . 33.6 m -96.89 120.72 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.977 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.97 112.61 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.088 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.406 ' HB2' ' N ' ' A' ' 148' ' ' GLY . 26.0 m-85 -77.9 111.65 13.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.572 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 44.8 mmm -68.84 162.67 25.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -67.42 166.91 13.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 2.5 mt -125.34 102.91 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.25 119.8 32.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.958 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 4.9 t -115.92 139.08 50.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.89 -173.79 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -109.39 -62.93 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.03 96.6 5.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 27.5 mm -74.95 90.99 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -105.0 137.4 42.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 166.61 93.58 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.468 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -68.51 128.6 17.47 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.58 2.187 . . . . 0.0 112.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 23.5 t -144.47 144.85 31.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -140.03 -62.34 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 89.5 mt 60.63 40.58 16.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 64.1 -121.79 23.96 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.4 m -116.8 170.9 5.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.83 0.347 . . . . 0.0 111.112 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.8 -177.71 5.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.93 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -150.28 128.61 12.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 188' ' ' THR . 4.6 t -126.43 99.95 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -166.76 -49.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -67.43 141.02 18.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.148 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.31 141.81 45.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.89 129.75 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.087 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -114.8 137.66 51.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 15.6 m -112.85 178.1 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.053 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -172.2 89.29 0.42 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.49 166.27 26.26 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.537 2.158 . . . . 0.0 112.394 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . 0.424 ' CZ3' HG11 ' A' ' 166' ' ' VAL . 0.0 OUTLIER 60.82 99.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.963 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.15 132.44 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -122.57 143.43 49.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.5 tpt -116.95 133.67 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.402 HD11 ' CE1' ' A' ' 162' ' ' PHE . 11.7 tt -124.47 127.61 73.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.01 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -148.09 -158.86 8.14 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.47 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -122.02 167.7 12.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.791 0.329 . . . . 0.0 110.818 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -150.82 167.29 30.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.635 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.402 ' HA ' HD13 ' A' ' 161' ' ' LEU . 4.6 m-85 -147.02 134.25 20.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.813 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -88.07 133.52 33.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.11 152.86 43.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.783 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.427 HD22 ' CE1' ' A' ' 210' ' ' HIS . 0.3 OUTLIER -122.14 133.04 54.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -99.93 146.15 27.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . 0.427 ' CE1' HD22 ' A' ' 208' ' ' LEU . 61.4 m-70 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.339 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 -147.74 63.08 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 174.7 9.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.04 133.93 34.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 102.56 5.25 48.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.837 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.65 128.78 38.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.01 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -101.2 104.94 16.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 24.3 mm -119.58 124.02 72.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mt -94.99 125.04 47.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.423 ' HB3' ' HB ' ' A' ' 48' ' ' THR . 0.0 OUTLIER -108.81 161.17 15.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 140.36 3.41 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.234 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -159.6 179.29 35.28 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.688 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 45' ' ' LEU . 0.5 OUTLIER -96.75 130.48 43.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.43 -174.13 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.9 m 63.61 141.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.502 HG22 ' N ' ' A' ' 17' ' ' ASP . 11.4 p -108.74 159.34 8.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.026 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.502 ' N ' HG22 ' A' ' 16' ' ' VAL . 6.0 t0 -56.8 130.35 78.22 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.26 167.43 0.79 Allowed 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.412 2.075 . . . . 0.0 112.356 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.46 -64.91 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.32 -63.9 1.16 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.887 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.3 m 59.7 39.45 21.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.931 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.82 87.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 66.6 p -93.86 -54.86 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -109.05 157.65 18.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.483 ' O ' HD12 ' A' ' 25' ' ' ILE . 2.3 pp -142.18 31.75 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' C ' HD12 ' A' ' 27' ' ' LEU . 2.7 tttp -143.45 31.65 1.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.467 HD12 ' C ' ' A' ' 26' ' ' LYS . 9.4 mp -127.95 100.35 5.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -69.38 106.48 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.3 -145.9 11.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.6 -63.61 1.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.343 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -162.77 82.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -102.01 118.58 37.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.44 100.18 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.818 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.03 122.82 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.486 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 36' ' ' LYS . 0.9 OUTLIER 61.03 169.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.856 -179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' H ' HG22 ' A' ' 35' ' ' THR . 4.2 mtmt -99.0 31.97 2.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -169.44 133.02 1.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -109.89 88.48 2.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 39' ' ' VAL . 14.3 t -143.27 35.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.078 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -79.33 135.24 36.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.7 m -109.97 -31.24 7.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -90.92 51.71 2.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.7 t -79.71 -31.39 41.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -63.86 176.43 0.94 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.82 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -98.22 171.63 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.959 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.46 146.0 18.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.452 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.4 mp -118.48 144.9 45.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.704 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 10' ' ' ARG . 97.6 m -145.57 130.08 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -90.67 114.74 27.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.439 HG23 ' HG3' ' A' ' 60' ' ' GLU . 15.7 m -100.21 145.88 27.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -140.01 104.09 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.41 135.14 35.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.938 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 0.2 OUTLIER -127.05 159.37 34.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.66 179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.35 161.85 8.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.49 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.456 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 4.2 m-20 79.71 -58.94 0.36 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.24 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 159.81 39.15 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.82 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.7 OUTLIER -101.78 140.93 35.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.958 0.409 . . . . 0.0 111.159 -179.581 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -148.5 120.01 1.14 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.481 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.47 117.29 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.738 0.304 . . . . 0.0 110.967 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 50' ' ' THR . 1.8 mt-10 -125.26 118.65 26.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.546 HD21 HD12 ' A' ' 94' ' ' LEU . 2.4 mt -115.05 119.71 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.441 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 95' ' ' LEU . 24.0 t -90.82 138.3 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 0.0 111.394 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 -174.93 3.2 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -133.88 148.36 51.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.104 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.0 t -129.04 140.39 38.5 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.24 -2.55 12.76 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.519 2.146 . . . . 0.0 112.722 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 6.6 t80 63.63 77.27 0.33 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.843 0.354 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -155.55 169.62 23.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -130.36 123.98 31.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -171.44 139.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.4 m -153.23 126.3 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.069 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t70 60.05 175.9 0.09 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.0 m -129.75 176.89 7.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.147 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.02 -42.57 5.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.829 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -154.22 179.79 30.14 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.78 89.2 4.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.792 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -87.9 151.1 22.75 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.605 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.22 82.88 0.81 Allowed 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.628 2.219 . . . . 0.0 112.282 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 155.9 -27.99 0.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -62.53 1.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.852 0.358 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -84.35 79.57 9.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -99.61 -115.34 3.69 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.447 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.3 mttt 60.89 -174.61 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 110.889 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.44 ' HA ' HD13 ' A' ' 84' ' ' LEU . 4.1 mm? -106.11 -47.83 3.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.2 -53.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -140.31 151.41 45.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.559 HG23 ' O ' ' A' ' 87' ' ' ILE . 0.9 OUTLIER -131.73 113.3 22.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.029 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -168.6 81.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -113.42 80.75 1.4 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -162.55 121.25 1.36 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.786 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.571 ' HB3' HG23 ' A' ' 119' ' ' THR . 57.3 Cg_endo -71.11 172.69 13.44 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.385 2.057 . . . . 0.0 112.293 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -148.16 108.97 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 117' ' ' ASN . 21.3 m -116.41 127.92 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.546 HD12 HD21 ' A' ' 61' ' ' LEU . 0.8 OUTLIER -108.67 145.25 35.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.634 ' CD1' HG23 ' A' ' 62' ' ' VAL . 3.2 mp -142.21 121.2 12.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 113' ' ' GLY . 1.9 mt -91.95 136.09 33.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.437 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' OE1' ' CE1' ' A' ' 111' ' ' TYR . 2.4 mm-40 -116.88 140.73 49.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.95 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -128.73 124.57 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.718 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.42 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 12.8 p90 -134.37 84.78 39.96 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -77.04 -51.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.471 2.114 . . . . 0.0 112.643 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -123.41 -27.24 4.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.322 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 103.55 -113.52 4.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.47 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.77 44.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.253 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.595 HG21 ' HB2' ' A' ' 108' ' ' PHE . 20.4 p -147.33 -170.7 3.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.693 0.283 . . . . 0.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -83.63 19.39 1.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.552 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m 75.61 9.86 3.51 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 120.536 0.208 . . . . 0.0 111.304 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -106.48 -32.65 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.954 0.407 . . . . 0.0 110.604 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.595 ' HB2' HG21 ' A' ' 104' ' ' THR . 32.6 m-85 -99.37 153.53 18.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -105.08 80.4 0.51 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.988 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' A' ' 108' ' ' PHE . 73.2 Cg_endo -73.95 156.1 47.88 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.623 2.215 . . . . 0.0 112.424 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CE1' ' OE1' ' A' ' 97' ' ' GLN . 5.8 p90 -163.29 146.19 10.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -143.43 139.75 9.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.305 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 96' ' ' LEU . . . -176.35 -164.65 30.79 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.478 -0.868 . . . . 0.0 112.715 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.2 mp -147.73 173.78 12.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.891 0.377 . . . . 0.0 111.064 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -165.66 -164.83 21.92 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.436 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.505 HG11 ' CE2' ' A' ' 118' ' ' TYR . 20.8 t -121.18 139.53 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.828 0.347 . . . . 0.0 111.098 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.436 ' CB ' HG23 ' A' ' 93' ' ' THR . 55.8 t-20 -121.82 113.98 20.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.805 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.505 ' CE2' HG11 ' A' ' 116' ' ' VAL . 14.0 m-85 -126.64 142.11 51.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.571 HG23 ' HB3' ' A' ' 91' ' ' PRO . 7.4 m -132.27 123.26 26.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.698 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.45 122.94 47.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.956 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.03 165.91 33.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -63.75 166.39 7.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.12 33.5 21.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.59 -31.11 24.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.15 -40.96 26.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 5.0 mt -143.41 122.03 12.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -99.74 121.82 41.82 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.073 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.5 t -114.74 -178.17 3.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -60.83 114.63 3.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.01 -31.18 34.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -64.94 -37.33 87.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -74.99 -32.68 61.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.035 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.06 -31.45 72.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.19 33.45 5.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.39 107.09 18.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.44 -30.3 71.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 24.6 t -93.87 150.0 20.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.971 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.4 ptt? -164.88 35.0 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.41 66.68 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.827 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.48 HD22 ' HA ' ' A' ' 140' ' ' LEU . 0.2 OUTLIER -111.86 32.08 5.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.902 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.51 160.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -140.73 30.51 1.87 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.6 m -163.8 127.98 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 5.0 p90 -142.89 127.84 18.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.954 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.451 ' CA ' HD13 ' A' ' 171' ' ' ILE . . . -179.23 -162.94 29.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.375 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.43 134.63 45.87 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.831 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -120.59 170.52 9.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.337 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -140.37 151.91 22.56 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.36 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.446 ' CD ' HD22 ' A' ' 95' ' ' LEU . 2.3 tt0 -146.29 123.41 11.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 111.108 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.518 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 0.7 OUTLIER -149.82 125.88 10.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.775 179.827 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -172.33 -147.85 5.96 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.932 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 152' ' ' PHE . 0.7 OUTLIER -145.68 148.78 33.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.884 0.373 . . . . 0.0 110.89 -179.868 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -105.42 134.83 47.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.998 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -128.22 85.77 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.676 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.527 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -80.11 153.06 28.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.306 -179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 6.7 mt -108.3 -27.88 9.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.842 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 74.04 4.35 4.58 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.66 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -85.29 -48.09 9.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.072 0.463 . . . . 0.0 110.6 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.36 -35.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.757 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -162.42 -172.93 3.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.584 HD12 ' OD1' ' A' ' 163' ' ' ASN . 0.4 OUTLIER -116.98 169.15 9.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.039 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -110.72 144.52 39.55 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.164 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.584 ' OD1' HD12 ' A' ' 161' ' ' LEU . 2.9 m120 -140.72 114.13 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.904 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.712 ' CB ' HG22 ' A' ' 201' ' ' ILE . 4.8 ptm -133.75 145.8 50.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.726 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.518 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -169.05 178.58 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.964 0.411 . . . . 0.0 111.351 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 198' ' ' VAL . 21.4 t -96.87 130.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 4.2 t90 -106.89 136.65 46.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -150.49 137.44 19.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.497 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -148.65 105.54 3.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 0.0 111.071 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -131.07 105.42 7.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.816 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.451 HD13 ' CA ' ' A' ' 145' ' ' GLY . 5.6 tp -76.86 135.39 26.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.058 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -73.61 100.86 3.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.98 149.72 43.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.32 106.25 18.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -168.11 -46.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.053 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . 0.464 ' O ' HG22 ' A' ' 177' ' ' ILE . 37.9 t -62.01 -54.43 41.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.464 HG22 ' O ' ' A' ' 176' ' ' SER . 5.8 tt 43.61 37.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.573 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.74 114.92 6.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.967 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -142.45 -87.02 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.469 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.63 62.51 3.73 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.594 2.196 . . . . 0.0 112.293 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.47 89.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -119.16 31.53 6.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.3 mp 60.83 90.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -136.47 -44.57 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.476 HG23 ' N ' ' A' ' 186' ' ' ASN . 31.3 m -59.93 -44.79 95.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.854 0.359 . . . . 0.0 111.178 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . 0.476 ' N ' HG23 ' A' ' 185' ' ' VAL . 12.1 p-10 -90.05 -175.25 4.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -155.34 -69.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 188' ' ' THR . 12.7 m -142.4 40.83 1.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.23 -30.7 11.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 27.1 m -107.26 127.3 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -99.88 120.12 39.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.5 t -143.96 134.43 21.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -90.87 145.55 24.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.98 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 11.2 p -141.36 144.79 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.7 137.0 24.44 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.71 110.61 3.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.521 2.148 . . . . 0.0 112.377 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 22.5 m0 60.01 174.54 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t -135.79 121.35 29.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.06 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 13.6 p90 -125.52 142.47 51.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.075 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 6.5 ttp -125.86 149.24 48.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.858 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.712 HG22 ' CB ' ' A' ' 164' ' ' MET . 23.6 pt -127.49 160.67 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.185 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -169.12 -166.1 27.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.413 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -126.26 175.96 7.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 0.0 110.802 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -163.3 174.73 39.59 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.667 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -134.93 127.53 30.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.855 0.36 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 2.8 tttm -109.19 141.01 42.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -71.11 110.33 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 11.0 tp -91.08 135.31 33.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -129.15 136.98 50.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.809 0.338 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -133.93 149.16 51.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.83 169.62 24.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.56 134.25 46.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 95.14 5.06 60.95 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.764 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.41 124.19 18.7 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.858 0.361 . . . . 0.0 110.914 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -85.04 104.93 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mm -112.62 129.52 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.001 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.607 HD11 ' HB3' ' A' ' 205' ' ' TYR . 12.6 pt -101.1 116.99 45.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.094 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.443 ' NH1' HG21 ' A' ' 50' ' ' THR . 0.3 OUTLIER -109.53 153.42 24.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -146.99 -161.99 9.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.03 164.73 15.62 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.578 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -95.3 172.71 7.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.853 0.358 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 44' ' ' GLN . . . -131.63 31.27 4.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 t -65.16 167.15 8.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.823 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 17' ' ' ASP . 21.5 t -134.97 157.82 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.472 ' N ' HG12 ' A' ' 16' ' ' VAL . 0.1 OUTLIER 63.45 124.99 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.56 141.38 63.15 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.372 2.048 . . . . 0.0 112.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.46 -31.2 33.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.7 -42.88 49.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.822 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.1 t -118.12 125.77 50.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.9 t -122.74 -47.75 2.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 t -143.78 -47.76 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -60.75 118.7 6.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.3 pt -99.52 -28.72 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.117 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mppp? -158.42 128.46 5.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 63.55 140.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 60.75 167.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -135.33 -114.93 1.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.544 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.4 124.39 21.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.856 0.36 . . . . 0.0 111.192 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -139.01 -47.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -107.62 -57.7 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.59 131.69 36.83 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.853 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.27 117.14 0.47 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.503 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m -128.12 -52.46 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 0.0 110.933 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.03 171.5 13.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.81 154.72 22.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.131 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -119.79 103.27 9.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 m -95.78 -32.91 4.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -170.29 47.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.2 m -73.89 172.28 11.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.879 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.8 p30 -163.71 77.0 0.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 44' ' ' GLN . 9.6 t -67.48 -46.93 71.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HB3' ' HB3' ' A' ' 14' ' ' ALA . 17.7 tt0 -136.94 124.96 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.3 mt -106.9 165.1 11.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.943 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.12 147.63 19.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 1.029 HD23 HG22 ' A' ' 65' ' ' THR . 2.7 pp -133.65 141.48 47.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.741 0.305 . . . . 0.0 110.598 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' ' 62' ' ' VAL . 1.7 p -148.68 139.26 22.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.042 -179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -87.93 167.1 14.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.443 HG21 ' NH1' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -154.33 113.53 3.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 0.0 111.435 -179.793 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.538 ' HB2' HG12 ' A' ' 59' ' ' VAL . 4.9 m-85 -93.27 85.87 5.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.079 179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.7 ttm -62.3 121.31 12.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.634 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.457 ' HB3' ' H ' ' A' ' 57' ' ' TRP . 3.0 t80 -98.82 127.63 44.8 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.043 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.26 94.78 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -178.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 54' ' ' ALA . 4.6 m-20 28.85 60.5 0.13 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.465 -0.788 . . . . 0.0 112.14 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.74 -36.28 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.487 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.457 ' H ' ' HB3' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -157.54 -175.66 5.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.231 0.539 . . . . 0.0 111.72 -179.558 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.74 119.61 0.53 Allowed Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.948 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.675 HG23 ' O ' ' A' ' 95' ' ' LEU . 12.4 p -107.2 141.45 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.937 0.399 . . . . 0.0 111.262 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HB3' ' CG2' ' A' ' 50' ' ' THR . 0.5 OUTLIER -130.66 141.01 50.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.007 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.0 mp -120.49 121.56 38.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.749 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.534 ' HA ' HG22 ' A' ' 48' ' ' THR . 21.3 t -90.93 144.7 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.394 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.97 131.5 2.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.05 153.08 34.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.023 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 1.029 HG22 HD23 ' A' ' 47' ' ' LEU . 32.2 p -75.27 148.95 84.19 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.994 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.75 -168.56 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.654 2.236 . . . . 0.0 112.327 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -100.61 112.34 24.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -83.71 -173.25 4.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 60.47 32.63 20.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' NE2' HG13 ' A' ' 71' ' ' VAL . 2.5 tt0 -103.89 -61.56 1.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.95 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.487 HG13 ' NE2' ' A' ' 70' ' ' GLN . 6.0 m -105.3 150.11 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -113.68 -47.53 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t 61.57 105.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.19 -66.0 0.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.74 157.54 47.51 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.462 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.33 177.71 8.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.745 0.307 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.77 85.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.46 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.26 99.94 0.84 Allowed 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 122.634 2.223 . . . . 0.0 112.307 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.7 106.58 0.28 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.518 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -132.71 132.92 42.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.24 85.63 2.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 95.47 166.09 34.99 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -165.4 -44.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.5 108.1 11.29 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -145.23 -69.63 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -101.52 123.26 45.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.7 pt -109.08 95.67 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.29 -45.12 0.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.96 147.08 16.21 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.063 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp 62.06 145.97 0.08 OUTLIER Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.48 167.6 1.32 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.508 2.139 . . . . 0.0 112.342 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 118' ' ' TYR . . . -152.89 109.93 3.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.2 m -108.8 126.62 53.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.282 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 tp -128.48 124.88 37.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.425 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.675 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.9 OUTLIER -145.65 137.38 25.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.92 0.391 . . . . 0.0 111.387 -179.632 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.407 HD12 ' CG2' ' A' ' 59' ' ' VAL . 0.2 OUTLIER -108.54 119.58 39.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.337 179.506 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.514 ' HG3' HD23 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -102.66 149.34 24.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.97 0.414 . . . . 0.0 111.565 -179.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.477 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 13.9 t80 -109.26 148.68 30.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.643 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 98' ' ' TYR . 2.7 m-85 -105.3 84.47 1.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.68 -47.87 1.22 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.622 2.215 . . . . 0.0 112.356 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.51 29.48 7.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -105.18 111.83 3.84 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.332 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.78 44.67 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.214 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.81 -170.66 3.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.781 0.324 . . . . 0.0 110.593 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -85.72 19.16 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.546 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -74.04 143.63 45.41 Favored 'General case' 0 C--O 1.231 0.103 0 CA-C-O 120.781 0.324 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.11 -56.92 7.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.143 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -71.51 142.34 50.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -114.92 95.36 41.33 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.838 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 68.5 Cg_endo -74.46 148.6 38.16 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.509 2.139 . . . . 0.0 112.377 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.425 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 2.1 p90 -164.02 144.56 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.76 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -145.14 141.97 10.38 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.6 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 97' ' ' GLN . . . -170.79 -164.61 26.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.587 -0.816 . . . . 0.0 112.859 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -142.87 160.58 40.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.834 0.35 . . . . 0.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.541 ' N ' HD12 ' A' ' 95' ' ' LEU . . . -159.97 -173.75 28.88 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.56 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.7 m -111.63 139.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.859 0.361 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -122.6 113.85 19.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 92' ' ' ALA . 6.8 p90 -137.93 135.61 36.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.0 t -135.07 149.38 50.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 p -114.44 162.17 17.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -134.75 143.58 47.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.81 -179.22 4.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.61 160.86 29.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -137.59 -47.91 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.3 -29.26 10.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 69.99 -63.82 0.38 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.88 159.72 6.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.141 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 13.5 m -58.75 148.5 29.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -161.59 31.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.0 -44.81 75.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -31.17 65.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.67 -32.67 72.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.8 tp-100 -88.01 -33.81 18.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.834 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.89 28.91 69.29 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.504 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.17 131.48 34.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.724 0.297 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 11.8 p -79.14 -33.41 44.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -115.18 150.75 35.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.5 -44.36 2.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.62 92.48 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.85 46.4 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 62.42 118.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -132.15 77.31 1.75 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 45.2 p -161.84 171.05 18.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 10.7 p-90 -118.04 147.92 42.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.693 ' HA2' HD13 ' A' ' 171' ' ' ILE . . . -137.31 -174.86 13.51 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.683 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.54 137.06 35.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB2' ' HB3' ' A' ' 169' ' ' MET . . . -122.87 134.26 54.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.166 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -109.99 149.18 17.43 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.548 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -131.47 138.44 49.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.73 124.09 8.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 174.95 -154.75 19.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.556 -0.83 . . . . 0.0 112.661 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -153.89 158.68 41.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.829 0.347 . . . . 0.0 110.79 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -99.01 139.82 34.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 2.3 t80 -129.1 85.62 2.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.01 0.433 . . . . 0.0 111.25 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.455 ' HB3' ' HB3' ' A' ' 161' ' ' LEU . 1.2 ptt? -88.06 147.87 24.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.886 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -96.01 -31.56 13.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.518 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 44.1 t30 76.54 -3.1 2.59 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.641 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -85.48 -48.03 9.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -129.9 -33.3 1.8 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.577 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.453 ' C ' HD12 ' A' ' 161' ' ' LEU . . . -166.39 -172.45 2.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.017 0.437 . . . . 0.0 111.704 -179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.865 HD13 ' HA ' ' A' ' 205' ' ' TYR . 3.5 mp -116.54 156.43 26.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.421 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.3 OUTLIER -127.79 150.24 49.91 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.832 0.349 . . . . 0.0 111.148 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -136.14 146.45 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.957 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.54 ' HG3' HG22 ' A' ' 201' ' ' ILE . 0.0 OUTLIER -152.46 130.77 12.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.09 177.05 11.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.205 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 198' ' ' VAL . 21.7 t -96.98 141.2 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -120.26 127.85 52.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -148.8 103.28 3.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.888 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 147' ' ' ALA . 13.8 ptt? -115.52 95.93 5.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.948 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -131.13 124.84 31.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.919 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.693 HD13 ' HA2' ' A' ' 145' ' ' GLY . 7.7 tp -76.94 140.0 17.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.016 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -94.42 103.03 15.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 17.2 m -100.98 140.83 34.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.86 -178.57 3.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -159.25 158.66 32.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.4 m -99.14 -35.25 10.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.5 tt -78.62 133.27 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.024 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -68.53 149.58 49.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -125.35 92.12 0.41 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -51.62 164.26 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.613 2.208 . . . . 0.0 112.358 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 16.3 m -106.56 148.97 27.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -107.25 152.57 23.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.182 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.63 164.77 0.07 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -171.38 35.99 0.16 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.59 128.29 40.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 111.089 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -63.48 179.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm 60.48 86.23 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 26.6 m -144.03 142.99 30.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 14.6 mtpp -156.71 158.24 36.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.5 t 59.97 88.46 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -98.08 -61.16 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.544 HG12 HG13 ' A' ' 194' ' ' VAL . 30.5 t -111.19 -68.27 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.56 82.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.544 HG13 HG12 ' A' ' 192' ' ' VAL . 16.5 m -137.03 35.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.158 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 61.19 88.64 0.12 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.48 -28.7 26.28 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.476 2.117 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.1 t90 -65.72 138.0 57.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.806 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t -141.92 118.13 6.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.413 ' CD1' ' N ' ' A' ' 199' ' ' TYR . 3.0 p90 -138.45 146.23 41.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.834 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 7.3 tpt -135.34 128.79 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.54 HG22 ' HG3' ' A' ' 164' ' ' MET . 4.2 pt -107.57 126.11 63.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -134.01 176.37 19.81 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.553 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -134.8 139.11 44.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.768 0.318 . . . . 0.0 110.96 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.32 -164.07 9.81 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.564 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.865 ' HA ' HD13 ' A' ' 161' ' ' LEU . 26.4 t80 -152.66 145.73 24.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.844 0.354 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.39 129.15 44.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -93.19 133.07 36.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -78.69 146.47 33.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -96.19 -29.67 13.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.948 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.822 0.344 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -123.66 -65.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.48 171.3 19.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.671 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -79.74 143.69 34.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.996 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.15 -8.07 44.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.763 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.88 152.49 19.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.697 0.284 . . . . 0.0 110.703 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 207' ' ' PHE . 12.2 p90 -125.74 130.04 50.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.997 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.508 HG23 ' HA ' ' A' ' 206' ' ' LYS . 3.0 mp -136.17 140.64 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.982 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.7 mp -105.62 137.27 36.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.182 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -136.26 146.42 46.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.4 138.08 2.46 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.429 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -160.27 -170.98 25.56 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -80.02 123.87 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -131.92 102.95 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -84.5 142.81 29.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.0 m -130.22 74.14 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -173.3 147.17 1.42 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.19 144.26 48.57 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.47 2.113 . . . . 0.0 112.353 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.71 30.49 6.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -89.63 -40.87 12.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.06 122.97 46.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.22 -50.12 0.51 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.989 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.0 p -69.36 96.87 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -134.26 129.96 36.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 25' ' ' ILE . 0.7 OUTLIER -122.7 45.83 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.028 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.27 -47.72 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -114.2 89.07 3.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.87 -47.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 106.08 -178.19 22.73 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.538 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.79 87.95 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.794 0.33 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.12 -53.15 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.86 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -89.1 136.4 33.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.876 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.3 mtp85 -74.15 164.36 26.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 111.45 -163.52 12.22 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.563 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.1 p -146.12 142.46 28.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.58 96.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.31 91.93 3.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.209 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.585 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.0 p -103.16 19.96 18.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG13 ' O ' ' A' ' 38' ' ' THR . 3.6 m -160.71 29.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.032 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.78 30.66 6.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.01 122.15 38.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 t70 61.16 93.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.1 p -98.21 23.14 8.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.078 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -83.4 126.81 33.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.799 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mp -109.25 134.58 51.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -100.05 137.49 13.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.408 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.605 HD22 HG21 ' A' ' 65' ' ' THR . 0.9 OUTLIER -125.88 146.34 49.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 110.739 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.4 t -155.4 149.85 26.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.162 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -115.92 143.01 46.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.649 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.99 127.87 45.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.645 ' HB2' HG22 ' A' ' 59' ' ' VAL . 5.3 m-85 -111.39 99.33 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.777 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -56.82 129.24 40.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.372 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 0.3 OUTLIER -110.62 179.24 4.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.973 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.671 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -55.22 149.51 12.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.054 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 77.61 -62.15 0.38 Allowed 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.603 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER 164.93 38.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.47 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.446 ' CD1' ' HB3' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -87.66 -174.03 4.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.907 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . 172.21 130.22 1.22 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 51' ' ' TYR . 35.7 m -101.74 111.62 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.913 0.387 . . . . 0.0 110.838 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.541 ' C ' HD22 ' A' ' 61' ' ' LEU . 5.5 tt0 -96.23 122.7 39.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.206 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD22 ' C ' ' A' ' 60' ' ' GLU . 3.3 mm? -111.89 119.97 40.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.468 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.72 136.51 23.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.896 0.379 . . . . 0.0 111.28 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.95 118.59 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.18 141.13 43.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.605 HG21 HD22 ' A' ' 47' ' ' LEU . 74.7 p -108.26 153.43 41.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.85 -175.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.536 2.158 . . . . 0.0 112.33 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -62.63 -56.32 18.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -163.11 161.74 25.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 31.2 m-70 -71.93 126.14 28.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 60.59 175.83 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.474 HG23 ' N ' ' A' ' 72' ' ' ASP . 22.7 m -131.52 -45.65 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 71' ' ' VAL . 1.3 m-20 -145.04 -69.37 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 73' ' ' VAL . 11.2 t 73.81 4.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.715 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.18 27.91 4.46 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.734 0.302 . . . . 0.0 110.921 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.68 ' C ' HD22 ' A' ' 76' ' ' LEU . . . -172.61 -171.02 37.04 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.56 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.68 HD22 ' C ' ' A' ' 75' ' ' GLY . 3.9 mm? -123.06 107.91 12.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.79 0.328 . . . . 0.0 110.974 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -148.31 144.28 12.1 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.493 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -74.95 61.21 5.58 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.534 2.156 . . . . 0.0 112.218 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -117.81 29.24 6.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.462 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.99 -47.9 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.8 -177.5 2.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.7 65.32 0.55 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.418 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 62.51 148.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.915 0.388 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 60.54 107.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.24 -63.5 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.034 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.1 152.11 38.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.791 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.5 mm 63.99 129.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.7 mtpt -133.01 36.42 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.561 ' O ' HD12 ' A' ' 90' ' ' LEU . 4.0 tt0 -127.86 158.63 37.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -156.75 -66.58 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.962 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.483 ' HA ' HG23 ' A' ' 119' ' ' THR . 59.9 Cg_endo -72.23 125.96 11.28 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.37 2.046 . . . . 0.0 112.184 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -135.63 111.65 9.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.234 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.606 HG22 HD11 ' A' ' 95' ' ' LEU . 2.9 m -126.82 137.59 53.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.889 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.473 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -132.01 119.52 21.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.606 HD11 HG22 ' A' ' 93' ' ' THR . 1.5 mp -135.11 150.03 50.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.93 111.17 23.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.747 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -102.69 155.56 18.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.446 ' HB3' ' CD1' ' A' ' 57' ' ' TRP . 5.8 p90 -146.84 150.16 34.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.501 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 88.4 m-85 -93.48 110.08 44.66 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.41 -52.07 1.22 Allowed 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 122.572 2.182 . . . . 0.0 112.303 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -116.72 29.19 8.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.047 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.9 104.9 2.37 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.346 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 150.51 43.19 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.192 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -140.14 -170.45 2.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.58 -179.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 104' ' ' THR . 39.3 m-20 -83.39 19.09 1.61 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.396 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.69 154.8 40.54 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.804 0.335 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.7 -33.61 15.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.8 p90 -94.94 143.18 26.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -108.33 89.92 6.41 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.054 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -77.83 134.19 13.2 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 122.588 2.192 . . . . 0.0 112.284 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' HB3' ' CD1' ' A' ' 99' ' ' TYR . 23.1 p90 -146.17 159.26 43.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.117 -179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.57 ' HA2' HD22 ' A' ' 150' ' ' LEU . . . -137.99 136.67 8.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.246 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -140.11 170.74 24.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.825 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -154.2 132.92 12.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.729 0.3 . . . . 0.0 110.693 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -158.14 -164.99 14.75 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.709 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 146' ' ' LEU . 21.5 t -111.02 146.72 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.34 . . . . 0.0 111.162 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.474 ' HA ' HG23 ' A' ' 93' ' ' THR . 0.8 OUTLIER -124.18 121.51 35.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.937 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -143.04 138.56 30.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.483 HG23 ' HA ' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -118.39 102.6 9.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.942 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.2 t -111.45 162.09 15.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -151.51 139.51 20.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -73.58 133.51 43.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -174.13 -44.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.875 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -86.88 166.73 14.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.99 -40.72 5.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 127' ' ' ALA . 2.9 tt -119.18 160.84 21.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.521 ' N ' HD23 ' A' ' 126' ' ' LEU . . . -59.2 146.35 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 30.8 t -118.13 109.5 16.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -146.62 128.02 14.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.939 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -80.96 -31.75 34.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -71.4 -35.0 70.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -59.82 -33.86 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.47 -31.09 20.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 106.33 29.48 4.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.526 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.55 -172.0 3.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.806 0.336 . . . . 0.0 110.858 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.0 p -121.29 17.1 11.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.251 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.93 169.23 10.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.859 0.362 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 56.1 mmm -142.81 -175.95 4.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 160.2 27.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.52 HD23 ' H ' ' A' ' 140' ' ' LEU . 0.4 OUTLIER -65.82 176.3 1.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.32 -178.69 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.9 t0 59.84 97.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 77.9 p -128.97 165.45 21.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 20.3 m95 -103.71 175.11 5.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.728 ' HA3' HD13 ' A' ' 171' ' ' ILE . . . 173.49 -162.92 34.11 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.605 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 116' ' ' VAL . 0.4 OUTLIER -56.03 148.8 16.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.819 0.342 . . . . 0.0 111.1 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -142.52 -177.55 5.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.014 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -150.95 151.09 23.14 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -132.37 129.36 39.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.718 0.294 . . . . 0.0 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.57 HD22 ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -146.83 123.48 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -178.86 -145.1 5.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.638 -0.792 . . . . 0.0 112.592 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -158.11 177.98 10.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.873 0.368 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -133.07 136.24 45.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.677 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.446 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -107.47 84.98 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.107 0.479 . . . . 0.0 111.253 -179.893 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.519 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 23.0 mtm -69.95 121.75 17.99 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.979 179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 1.1 mt -87.67 -33.8 18.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.762 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 6.2 t30 77.26 -1.44 2.76 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.664 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.51 -48.11 9.27 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.99 0.424 . . . . 0.0 110.522 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 -34.43 0.55 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.014 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -163.95 -172.99 3.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.049 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.519 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.0 pp -117.06 176.3 5.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.95 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.446 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -109.91 150.02 29.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.883 0.373 . . . . 0.0 111.088 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -136.56 107.5 6.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.943 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.516 ' HG3' HG22 ' A' ' 201' ' ' ILE . 4.3 tmm? -136.97 131.09 32.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.84 171.1 19.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.141 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 198' ' ' VAL . 29.5 t -97.07 134.67 33.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -109.84 107.05 16.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -117.72 112.79 20.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.54 99.72 3.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -129.26 91.4 3.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.728 HD13 ' HA3' ' A' ' 145' ' ' GLY . 8.6 tp -76.87 122.0 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -142.99 112.5 6.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 43.4 p -145.55 115.92 7.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -171.07 -179.51 2.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -153.72 78.12 1.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.092 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 27.9 m -86.59 153.75 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.841 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.1 pt -132.75 116.85 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -68.98 113.08 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 174.21 58.82 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.73 -172.21 0.65 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.608 2.205 . . . . 0.0 112.391 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 4.2 m -101.65 31.21 3.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -167.68 155.95 9.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 7.6 mp -114.19 167.55 10.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 167.43 -113.6 0.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.585 ' O ' HG12 ' A' ' 185' ' ' VAL . 16.6 t 60.79 32.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -60.01 -63.18 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 118.92 27.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 41.4 p -101.52 -178.69 3.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 138.16 53.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.48 142.71 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.168 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -153.4 142.58 21.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.486 HG22 ' N ' ' A' ' 193' ' ' ASP . 11.1 p -169.08 158.22 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . 0.486 ' N ' HG22 ' A' ' 192' ' ' VAL . 2.7 m-20 -60.19 -179.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 195' ' ' ASP . 11.0 p -121.15 -42.25 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . 0.44 ' N ' HG13 ' A' ' 194' ' ' VAL . 5.2 t0 -140.94 81.56 16.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.43 61.38 4.26 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.529 2.153 . . . . 0.0 112.314 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -178.32 145.89 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.5 t -146.07 158.61 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.167 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.484 ' N ' HG12 ' A' ' 198' ' ' VAL . 10.4 p90 -142.99 149.64 38.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 15.3 ttp -128.34 128.03 43.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 164' ' ' MET . 1.2 pt -122.79 141.21 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -159.64 -162.49 12.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -122.02 175.35 6.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.871 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -154.33 154.64 25.65 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.517 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -155.22 121.19 5.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.75 0.309 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.508 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -99.41 138.16 36.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . 0.436 ' HB3' ' CE2' ' A' ' 7' ' ' PHE . 2.2 t80 -99.38 115.19 28.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.64 140.57 36.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -96.98 164.91 12.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 26.0 t60 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.934 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.9 mtm . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.799 0.333 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -87.07 125.13 33.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.826 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -134.53 -176.08 4.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.21 119.44 14.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.062 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.69 5.09 27.89 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.809 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.41 126.62 28.31 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.822 0.344 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.42 ' O ' HD13 ' A' ' 8' ' ' ILE . 14.0 m-85 -81.87 104.98 12.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.564 HD12 ' CB ' ' A' ' 206' ' ' LYS . 13.5 mm -121.06 122.89 68.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.524 HG22 ' CE1' ' A' ' 49' ' ' PHE . 20.3 pt -95.03 129.44 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.43 162.95 20.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.78 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.0 137.94 3.06 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -149.96 178.17 27.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.524 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -84.7 162.03 19.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.5 173.11 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.138 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 72.3 p -67.83 161.27 26.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t 63.87 123.26 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -136.02 87.89 23.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.37 147.56 65.62 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.574 2.183 . . . . 0.0 112.313 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.9 p30 -176.09 93.07 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -79.29 -50.91 10.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 m -70.7 158.34 36.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -127.41 147.97 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.0 m -99.72 31.45 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.38 -39.36 6.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.82 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.403 HG23 ' HG3' ' A' ' 26' ' ' LYS . 1.9 tp -110.6 -32.19 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' HG3' HG23 ' A' ' 25' ' ' ILE . 16.2 mtmt -113.34 172.58 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.6 mp -112.16 -48.61 3.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.43 -179.75 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.33 168.43 35.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -153.88 72.17 0.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.849 0.357 . . . . 0.0 111.167 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -124.79 100.82 6.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 63.73 136.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -148.83 31.32 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 60.8 -92.6 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.24 98.38 9.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.32 . . . . 0.0 111.002 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.59 86.04 2.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.61 84.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.9 t -75.92 -179.37 4.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 39' ' ' VAL . 8.9 p -157.91 65.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.033 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -117.08 92.01 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.6 t 66.0 -73.32 0.07 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -150.79 167.3 27.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.916 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 25.7 p -115.29 -37.89 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -93.92 138.14 32.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.92 -177.88 0.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -122.92 135.56 10.12 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.608 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.4 mt -119.16 141.51 48.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.641 0.258 . . . . 0.0 110.506 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.785 HG22 ' HA ' ' A' ' 62' ' ' VAL . 5.3 p -143.2 135.77 27.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.96 0.41 . . . . 0.0 111.451 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.524 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -96.77 118.15 32.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.097 179.326 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.726 HG23 ' HB2' ' A' ' 60' ' ' GLU . 1.1 m -112.05 134.01 53.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.988 0.423 . . . . 0.0 111.764 -179.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -109.04 90.55 3.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.955 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -57.94 123.68 16.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.834 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.97 134.54 34.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.846 179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ASP . . . -34.0 93.07 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' ALA . 12.7 m-20 28.33 60.82 0.12 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.415 -0.812 . . . . 0.0 112.216 179.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -166.92 -34.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.735 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -152.04 -176.68 5.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.24 0.543 . . . . 0.0 111.966 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.08 119.91 0.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.834 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.4 m -102.01 139.07 24.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 -179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.726 ' HB2' HG23 ' A' ' 50' ' ' THR . 33.2 tt0 -132.41 150.03 52.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.081 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.616 HD12 ' CD2' ' A' ' 94' ' ' LEU . 9.0 tt -133.77 125.01 27.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.46 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.785 ' HA ' HG22 ' A' ' 48' ' ' THR . 14.1 t -90.89 136.37 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.913 0.387 . . . . 0.0 111.364 -179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.04 131.68 2.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.926 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.43 151.53 38.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.402 HG23 ' HD2' ' A' ' 66' ' ' PRO . 30.5 m -115.07 139.16 23.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.799 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HD2' HG23 ' A' ' 65' ' ' THR . 54.9 Cg_endo -69.6 117.22 4.94 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.445 2.096 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -131.25 30.06 4.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -137.11 -69.58 0.46 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -102.91 170.48 7.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 60.51 31.22 20.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -165.85 144.38 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -139.15 -60.24 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 74' ' ' LYS . 15.5 m -149.69 -45.13 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.249 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' HG23 ' A' ' 73' ' ' VAL . 6.6 mmtp -52.07 -30.21 24.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.92 129.17 32.38 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 61.49 165.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 128.35 -149.37 18.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -69.21 142.29 49.95 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.555 2.17 . . . . 0.0 112.316 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 153.5 -67.31 0.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.521 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 tp 63.78 -77.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.755 0.312 . . . . 0.0 111.017 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.76 141.38 32.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 118.71 82.35 0.81 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.59 ' C ' HD22 ' A' ' 84' ' ' LEU . 31.2 mttt -114.89 128.4 56.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.76 0.315 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.59 HD22 ' C ' ' A' ' 83' ' ' LYS . 4.6 mm? -124.93 31.79 5.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -82.73 177.73 8.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.091 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.753 ' HB3' HD12 ' A' ' 87' ' ' ILE . 6.7 t0 -151.86 -46.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.753 HD12 ' HB3' ' A' ' 86' ' ' ASP . 3.7 mp -127.73 38.59 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -98.55 30.85 3.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.78 172.11 13.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 90' ' ' LEU . 26.9 mt -145.24 158.25 51.83 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.38 162.16 34.84 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.556 2.171 . . . . 0.0 112.177 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -151.13 154.59 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.136 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 116' ' ' VAL . 16.8 m -127.79 127.42 43.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.616 ' CD2' HD12 ' A' ' 61' ' ' LEU . 0.1 OUTLIER -113.12 131.92 55.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.93 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.34 158.2 43.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.35 145.38 48.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -125.27 143.63 50.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 86.7 t80 -100.27 150.1 22.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.79 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -120.95 89.04 45.46 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.186 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.48 -52.25 2.06 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.529 2.153 . . . . 0.0 112.184 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.78 -25.92 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.289 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -48.8 116.8 3.53 Favored Glycine 0 C--N 1.332 0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.73 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.62 44.59 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.132 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -170.58 3.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.774 0.321 . . . . 0.0 110.615 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -84.56 19.22 2.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.464 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.25 -175.17 0.14 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.801 0.334 . . . . 0.0 110.855 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -110.34 30.63 6.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.162 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.411 ' CD2' ' HD3' ' A' ' 110' ' ' PRO . 41.2 p90 -173.94 143.6 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.62 90.2 5.88 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.411 ' HD3' ' CD2' ' A' ' 108' ' ' PHE . 40.0 Cg_endo -67.16 131.87 26.31 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.56 2.174 . . . . 0.0 112.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.402 ' CE1' ' OD1' ' A' ' 153' ' ' ASP . 7.2 p90 -148.25 140.91 24.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -146.65 132.51 4.45 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.612 ' C ' HD22 ' A' ' 114' ' ' LEU . . . -171.65 -164.82 27.91 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.557 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.612 HD22 ' C ' ' A' ' 113' ' ' GLY . 3.8 mm? -123.64 177.15 5.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -151.95 172.07 31.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.407 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.705 HG13 ' O ' ' A' ' 145' ' ' GLY . 21.5 t -141.73 135.83 30.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.927 0.394 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.425 ' HA ' HG23 ' A' ' 93' ' ' THR . 1.6 m-20 -108.03 130.85 55.05 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.92 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -132.93 124.56 28.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.93 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.09 141.62 44.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.001 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 36.9 p -100.41 122.33 42.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -119.08 149.93 40.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -64.45 159.3 21.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -104.14 147.09 27.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -137.15 139.82 41.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -107.4 -36.27 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.04 -178.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.02 142.33 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 4.1 m -62.48 137.53 58.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.869 ' HB3' ' HB3' ' A' ' 132' ' ' ALA . 60.1 m-20 -104.29 101.86 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -78.92 -58.36 3.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -86.48 -35.41 19.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.869 ' HB3' ' HB3' ' A' ' 129' ' ' ASN . . . -59.89 -34.2 72.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -109.68 -32.57 7.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.9 41.76 7.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.79 155.62 38.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.786 0.327 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -98.93 -43.24 6.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.865 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 29.8 t -105.96 148.63 27.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 2.3 mtm -83.9 -59.91 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.63 99.62 11.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.943 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.64 HD21 ' HB3' ' A' ' 143' ' ' SER . 1.0 OUTLIER -166.46 132.52 2.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -146.27 -46.94 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -125.63 75.68 1.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.64 ' HB3' HD21 ' A' ' 140' ' ' LEU . 0.1 OUTLIER -85.92 135.84 33.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.876 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 3.2 p90 -146.38 148.93 32.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.705 ' O ' HG13 ' A' ' 116' ' ' VAL . . . -138.34 -175.95 14.25 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.611 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.77 126.59 43.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 0.0 110.905 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -105.12 168.7 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.403 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -124.94 154.92 18.38 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.596 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -147.03 121.23 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.44 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 0.2 OUTLIER -154.76 126.74 7.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.025 -179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . 169.5 -144.96 8.96 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.568 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -148.88 163.29 37.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.402 ' OD1' ' CE1' ' A' ' 111' ' ' TYR . 20.7 m-20 -114.45 114.04 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.743 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -93.96 85.73 4.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.535 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 4.2 ptp -68.0 153.04 44.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.156 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 2.1 mt -105.79 -33.67 7.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.756 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 8.8 t30 76.35 1.61 3.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.711 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -85.51 -48.02 9.35 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.118 0.485 . . . . 0.0 110.408 179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -143.11 -35.65 0.4 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.798 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.33 -172.88 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.805 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.535 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.8 OUTLIER -116.85 174.31 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.811 0.339 . . . . 0.0 110.886 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -116.21 149.21 39.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.939 0.399 . . . . 0.0 111.097 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -127.77 123.06 34.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.791 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -137.42 124.54 21.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.578 ' HB3' ' CE ' ' A' ' 200' ' ' MET . . . -163.7 177.68 8.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.306 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.429 HG22 ' O ' ' A' ' 150' ' ' LEU . 17.1 m -98.75 133.8 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.828 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.484 ' O ' HG21 ' A' ' 198' ' ' VAL . 0.0 OUTLIER -108.04 109.13 20.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.403 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 10.7 t80 -77.97 137.52 38.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.526 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.81 145.8 53.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 -179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -78.66 167.05 21.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 31.3 mt -103.55 114.78 44.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -126.23 144.34 50.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.32 128.22 33.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -140.91 121.73 14.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -90.24 154.09 19.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.13 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.14 33.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.0 pt -105.46 30.92 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -103.45 135.02 45.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 62.88 93.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.14 79.77 0.56 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.53 2.153 . . . . 0.0 112.265 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 17.6 t -115.36 -171.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -131.08 110.28 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.8 pp -74.81 172.94 11.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 136.34 155.19 7.04 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.543 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.5 t -71.93 -63.74 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -139.52 -62.81 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.842 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 5.1 mmtm -133.76 -67.04 0.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.12 150.76 33.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.68 -74.52 0.57 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.572 ' O ' HG12 ' A' ' 190' ' ' VAL . 19.5 t 62.85 39.3 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.064 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -95.05 88.48 5.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.957 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 193' ' ' ASP . 5.2 m -133.33 -47.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.069 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . 0.407 ' N ' HG23 ' A' ' 192' ' ' VAL . 3.4 t0 -68.0 133.09 48.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.463 HG23 ' N ' ' A' ' 195' ' ' ASP . 11.3 m -141.28 -48.93 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.294 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . 0.463 ' N ' HG23 ' A' ' 194' ' ' VAL . 0.7 OUTLIER 179.43 91.26 0.18 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.23 -15.18 38.87 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.462 2.108 . . . . 0.0 112.542 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -136.58 178.07 7.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 111.102 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.484 HG21 ' O ' ' A' ' 167' ' ' TRP . 16.8 m -149.32 116.52 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.933 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -119.48 138.7 52.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.2 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . 0.578 ' CE ' ' HB3' ' A' ' 165' ' ' ALA . 0.0 OUTLIER -144.75 151.55 39.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.719 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 4.4 pt -134.42 142.18 41.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.213 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.56 -177.62 23.8 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -121.98 161.46 22.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.705 0.288 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -160.72 175.29 37.44 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.624 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.519 ' HA ' HD23 ' A' ' 161' ' ' LEU . 12.3 t80 -158.33 121.06 3.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.791 0.329 . . . . 0.0 110.873 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.564 ' CB ' HD12 ' A' ' 8' ' ' ILE . 13.1 pttp -101.21 141.01 34.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.967 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -67.73 147.39 52.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.8 150.38 47.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.829 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -99.77 -66.94 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.205 -0.903 . . . . 0.0 110.823 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.828 0.347 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -111.32 169.89 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -177.15 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -71.03 140.61 50.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 91.22 5.22 67.79 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.758 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.3 123.55 18.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.749 0.309 . . . . 0.0 110.955 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -83.33 114.51 21.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.4 mt -132.2 131.57 60.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 13.6 pt -107.23 158.97 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -156.89 161.84 39.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 149.51 137.87 2.84 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.479 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.34 -170.98 31.95 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.418 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.688 ' HB2' HD23 ' A' ' 45' ' ' LEU . 12.0 t80 -161.67 168.34 23.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 111.0 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' O ' HG23 ' A' ' 15' ' ' THR . . . -152.59 179.63 8.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -163.26 -67.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.4 t 65.27 91.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.189 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -156.02 78.11 4.38 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.06 142.79 53.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.611 2.208 . . . . 0.0 112.28 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -137.45 30.09 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.0 -33.07 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.68 131.81 47.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t -173.01 81.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.9 t -134.18 40.47 3.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 61.04 172.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 25.4 mm 62.69 90.04 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.499 ' CE ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -149.58 -65.8 0.22 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.499 HD12 ' CE ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -128.87 -61.48 1.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -145.53 -66.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 175.7 150.93 8.3 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.88 139.8 47.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.351 . . . . 0.0 111.106 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -161.1 -47.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -105.29 166.92 10.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -140.67 170.29 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -95.77 131.94 10.87 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.1 p -106.12 32.79 4.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 60.7 95.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.94 175.16 9.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.3 p -132.25 52.56 2.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.8 t -75.52 -60.68 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t0 59.92 92.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -101.63 -55.61 2.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -170.91 65.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.02 23.14 14.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -95.97 133.5 40.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.065 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.688 HD23 ' HB2' ' A' ' 13' ' ' PHE . 2.3 mt -59.88 132.33 53.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -94.11 141.79 15.71 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 HD22 ' HE1' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -118.29 148.04 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.73 0.3 . . . . 0.0 110.635 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 m -149.19 136.65 20.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.252 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' HE1' HD22 ' A' ' 47' ' ' LEU . 4.3 m-85 -103.55 143.86 32.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.548 179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 9.3 p -133.01 120.22 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.223 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' O ' ' HA2' ' A' ' 58' ' ' GLY . 1.4 m-85 -110.37 96.23 6.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.39 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.68 132.54 52.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.322 -179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 57' ' ' TRP . 1.6 m-85 -112.31 170.39 8.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.926 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -59.25 153.49 18.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.867 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 77.61 -60.89 0.42 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.872 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.486 ' HB2' ' HB2' ' A' ' 99' ' ' TYR . 0.8 OUTLIER 164.06 41.44 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.618 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.41 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 43.2 m95 -103.36 177.1 4.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.852 0.358 . . . . 0.0 111.026 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . -171.3 153.76 21.02 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.642 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.2 t -113.31 111.95 38.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.747 0.308 . . . . 0.0 110.85 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -97.12 143.08 28.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 111.224 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.671 HD21 HD12 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -145.01 110.49 5.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.44 179.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.429 HG21 ' HZ3' ' A' ' 167' ' ' TRP . 18.8 t -90.79 127.81 43.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.301 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.09 -175.01 3.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -170.41 127.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 p -132.47 147.73 66.82 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.58 -168.13 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.526 2.151 . . . . 0.0 112.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -110.3 -31.44 7.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -65.97 -179.05 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.91 178.12 4.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -88.5 116.11 26.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -60.52 -33.43 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.48 135.53 49.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -81.99 119.75 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.095 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -89.94 -64.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -161.63 93.73 0.12 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 51.6 mt -101.75 137.44 40.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -125.97 120.05 3.66 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.429 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 -36.34 10.3 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.459 2.106 . . . . 0.0 112.248 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -176.09 82.58 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.548 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 80' ' ' LEU . 9.8 tp -138.95 137.84 36.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.822 0.344 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.1 p30 -85.37 152.42 23.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 148.69 -153.38 25.19 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.72 164.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.726 0.298 . . . . 0.0 110.904 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tt -171.73 -46.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -158.04 137.44 11.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -142.91 87.58 1.99 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' H ' HD12 ' A' ' 87' ' ' ILE . 3.4 mp -76.45 -50.61 21.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.153 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.705 ' HB2' HD22 ' A' ' 140' ' ' LEU . 8.8 tmtt? -67.65 88.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -167.96 85.57 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 60.59 166.62 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.804 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.56 135.19 38.12 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.502 2.134 . . . . 0.0 112.311 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -147.48 117.3 7.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.547 HG22 HD11 ' A' ' 95' ' ' LEU . 0.7 OUTLIER -90.37 130.46 36.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.671 HD12 HD21 ' A' ' 61' ' ' LEU . 0.2 OUTLIER -120.19 117.48 28.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.756 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.547 HD11 HG22 ' A' ' 93' ' ' THR . 0.6 OUTLIER -141.91 155.02 45.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.998 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.64 139.98 46.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -101.98 146.42 27.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.994 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 58.3 t80 -141.73 125.33 16.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.77 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.486 ' HB2' ' HB2' ' A' ' 56' ' ' LYS . 66.2 m-85 -103.83 94.24 6.14 Favored Pre-proline 0 C--N 1.332 -0.18 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.34 -49.97 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.481 2.12 . . . . 0.0 112.542 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 tpt -112.54 -27.08 8.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -74.33 151.94 44.27 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.407 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 147.52 -17.18 1.46 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.59 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.79 -170.79 3.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.802 0.334 . . . . 0.0 110.739 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -91.2 19.3 5.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.493 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.1 p -69.23 155.3 40.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.791 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -57.84 -51.3 70.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.057 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -94.79 122.74 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -115.7 81.62 9.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.023 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.29 151.42 22.73 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.491 2.127 . . . . 0.0 112.213 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -159.31 157.13 29.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.017 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -161.6 148.88 16.98 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.35 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -167.81 -165.03 24.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.524 -0.845 . . . . 0.0 112.621 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.4 tp -143.5 161.71 37.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.83 0.347 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.66 -165.31 21.72 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 30.9 m -128.38 158.9 40.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -120.84 124.54 45.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -132.04 115.3 15.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.871 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -130.65 124.4 31.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 77.3 p -108.49 171.88 7.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.56 154.64 33.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -60.03 158.12 11.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.8 p-10 -118.53 -178.45 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -100.4 168.3 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.68 -31.29 12.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.872 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.96 103.14 15.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.75 127.72 34.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -85.29 -68.74 0.71 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -170.04 34.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -55.82 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.48 -22.96 40.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -55.01 -23.77 21.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.371 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.8 tp60 -63.01 -31.7 72.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 68.98 33.81 75.43 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.578 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -75.35 172.52 12.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.868 0.366 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 58.0 m -126.73 17.22 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.335 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 52.9 p -124.86 151.98 44.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.854 0.359 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 16.7 mmm 61.41 114.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.95 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . 0.445 ' HB3' HD23 ' A' ' 140' ' ' LEU . 21.0 tptt -158.83 -52.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.705 HD22 ' HB2' ' A' ' 88' ' ' LYS . 0.1 OUTLIER -132.27 -44.77 0.92 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.98 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -80.51 96.95 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -145.62 -51.74 0.25 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.909 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 17.6 m -142.7 116.43 9.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -153.28 151.24 29.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -116.79 144.15 18.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.589 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.5 mt -60.0 174.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.803 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 95' ' ' LEU . . . -144.07 146.3 32.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.179 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -134.81 154.73 21.64 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.412 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -146.45 118.91 8.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.348 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.51 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 8.4 tt -147.18 123.11 10.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -177.15 -144.96 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.609 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -147.36 155.47 42.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.892 0.377 . . . . 0.0 110.951 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -110.69 132.11 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.749 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.41 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 71.1 t80 -128.48 85.79 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 111.361 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.567 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 3.2 ttt -64.07 143.87 57.54 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.733 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.05 -32.87 15.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.677 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 75.29 0.37 3.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.701 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.55 -47.92 9.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.128 0.49 . . . . 0.0 110.35 179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 -143.12 -34.88 0.41 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -153.8 -172.7 4.31 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.678 HD23 ' HA ' ' A' ' 205' ' ' TYR . 1.3 pp -116.79 167.33 11.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.814 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.41 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.1 OUTLIER -119.31 138.44 53.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.932 0.396 . . . . 0.0 111.167 -179.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -138.85 113.12 8.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.742 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 6.4 ttm -124.83 146.72 49.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.51 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -166.66 179.77 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.26 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.05 127.84 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.429 ' HZ3' HG21 ' A' ' 62' ' ' VAL . 10.0 m0 -109.09 108.64 19.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -102.44 109.13 20.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.8 mmt -124.48 118.92 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -131.03 90.93 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 18.5 tt -101.34 143.04 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.013 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.17 152.33 42.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.5 m -154.86 148.74 25.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.43 -30.16 8.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.852 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -93.37 47.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.031 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -173.58 85.45 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.742 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.6 pp -109.84 -28.63 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -96.47 144.19 26.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -141.1 81.04 0.25 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.527 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 139.03 39.28 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.579 2.186 . . . . 0.0 112.312 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.52 120.0 19.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -113.35 165.64 12.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 60.37 37.44 20.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -172.42 106.75 0.24 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 11.0 p -96.22 -31.0 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.69 161.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -129.18 -57.73 1.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 44.8 p -74.81 128.51 35.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.87 127.38 55.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.577 ' O ' HG12 ' A' ' 190' ' ' VAL . 12.8 t 59.41 29.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -169.48 72.11 0.08 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.76 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.585 HG12 HG22 ' A' ' 194' ' ' VAL . 4.1 t -94.9 -68.76 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 1.2 t0 58.96 19.51 7.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.818 179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.585 HG22 HG12 ' A' ' 192' ' ' VAL . 35.2 m -138.8 -29.58 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . 0.413 ' H ' HG12 ' A' ' 192' ' ' VAL . 1.1 t70 -104.78 102.13 33.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.647 -0.251 . . . . 0.0 110.905 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.429 ' HB3' ' CE1' ' A' ' 199' ' ' TYR . 75.4 Cg_exo -49.76 162.41 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.492 2.128 . . . . 0.0 112.441 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 14.1 m0 -100.57 -73.39 0.64 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.98 112.17 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 196' ' ' PRO . 8.4 m-85 -124.61 115.53 20.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.942 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -100.09 148.39 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.928 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 21.5 mt -127.56 115.54 40.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.993 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.39 158.4 23.18 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.582 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -138.18 154.66 49.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -167.72 -156.93 10.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.647 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.678 ' HA ' HD23 ' A' ' 161' ' ' LEU . 1.6 t80 -142.57 160.71 39.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.329 . . . . 0.0 110.824 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 3.5 pttt -117.24 139.12 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -63.83 123.04 17.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.969 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 4.4 mt -83.26 142.64 30.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 60.35 -179.97 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.741 0.305 . . . . 0.0 111.251 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -122.63 140.53 52.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.25 -175.54 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.19 143.05 53.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.6 5.23 69.33 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.759 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.01 125.53 21.93 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.897 0.38 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -99.47 107.87 20.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' HA ' ' A' ' 206' ' ' LYS . 11.0 mt -117.67 141.87 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 22.9 mm -94.86 123.83 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -121.47 152.71 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -163.66 -162.02 13.85 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.457 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.4 ' CA ' ' HA2' ' A' ' 202' ' ' GLY . . . 159.92 164.36 14.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.648 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 2.3 p90 -159.0 132.43 7.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 0.0 110.814 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.24 119.18 27.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.234 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.6 t -112.82 -30.0 7.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.971 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.9 t 67.96 140.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t0 61.97 81.1 0.24 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.972 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.91 155.82 61.48 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.674 2.25 . . . . 0.0 112.327 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -69.43 -32.05 70.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.77 -24.15 66.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -31.28 61.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.044 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m 60.09 89.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.2 p -148.8 155.1 40.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -72.44 -44.67 62.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.566 HG22 ' O ' ' A' ' 25' ' ' ILE . 15.9 mt 63.98 39.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.142 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mttt -85.99 153.64 22.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.594 ' HG ' ' N ' ' A' ' 28' ' ' ASP . 0.6 OUTLIER -174.84 -40.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.594 ' N ' ' HG ' ' A' ' 27' ' ' LEU . 9.5 t70 62.01 163.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.37 -128.05 6.24 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.481 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.03 -56.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.7 mttp 60.13 31.25 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.99 61.97 1.34 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.778 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -126.69 -54.25 1.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 152.09 88.86 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.464 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.1 m -145.26 127.95 16.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -101.67 121.43 42.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.0 175.3 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 p -88.6 90.26 8.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.637 ' O ' HG22 ' A' ' 39' ' ' VAL . 14.8 p -140.28 31.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.101 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.16 104.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.33 32.58 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -125.24 125.6 43.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 67.1 p -110.18 -29.69 8.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -58.42 164.74 2.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.3 pp -107.92 -177.01 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -137.84 157.35 24.18 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.74 158.47 23.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.649 0.261 . . . . 0.0 110.762 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.828 HG23 ' C ' ' A' ' 61' ' ' LEU . 39.6 m -155.8 131.82 9.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.186 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 61' ' ' LEU . 8.6 m-85 -90.43 156.42 18.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.418 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 141.86 33.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.996 0.427 . . . . 0.0 111.586 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -133.85 87.56 2.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.083 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.43 ' HA ' ' HA2' ' A' ' 58' ' ' GLY . 2.1 ttp -71.91 129.18 37.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.82 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -88.95 140.87 28.99 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.888 179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.0 92.18 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 31.49 60.73 0.28 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.03 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HG2' ' CZ3' ' A' ' 57' ' ' TRP . 18.7 tttp -163.76 -37.67 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.845 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.696 ' CD1' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -151.46 -170.75 3.74 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.529 -0.468 . . . . 0.0 111.865 -179.277 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.43 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -170.67 175.3 44.51 Favored Glycine 0 N--CA 1.452 -0.285 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.065 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.9 149.84 30.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 0.0 111.371 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -144.17 135.96 26.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.828 ' C ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -151.55 107.01 3.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -93.84 139.95 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.196 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.99 140.53 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.617 ' HB2' HD13 ' A' ' 90' ' ' LEU . . . -77.59 143.64 38.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.1 p -131.12 151.56 79.13 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.32 170.06 18.14 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.592 2.195 . . . . 0.0 112.287 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -169.82 0.23 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -161.66 -57.7 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -121.89 177.19 5.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? 60.78 96.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.575 ' CG2' HG13 ' A' ' 73' ' ' VAL . 11.0 p -174.02 142.2 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -122.38 56.62 1.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.817 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.575 HG13 ' CG2' ' A' ' 71' ' ' VAL . 11.5 m -67.77 143.68 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.3 mtpp -86.81 -66.9 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.8 -65.68 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tp 60.28 33.2 20.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.8 0.333 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 73.09 -159.47 53.53 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.559 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.36 167.26 24.44 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.591 2.194 . . . . 0.0 112.286 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.28 31.9 1.67 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.6 mp -90.9 -50.9 5.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -104.77 146.77 28.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.93 102.24 2.43 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.482 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.81 155.39 23.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.825 0.345 . . . . 0.0 110.91 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 mp -128.34 154.7 45.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -97.01 66.41 2.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.43 71.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.1 pt -118.8 -39.55 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 12.1 mtmm -154.69 -58.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.977 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 61.54 29.84 18.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 64' ' ' ALA . 0.2 OUTLIER -92.06 131.68 34.48 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.6 157.65 40.17 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.403 2.069 . . . . 0.0 112.366 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -116.12 146.44 42.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.423 ' HA ' ' CE1' ' A' ' 118' ' ' TYR . 1.4 t -156.3 147.97 22.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.144 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.712 HD23 ' HB3' ' A' ' 61' ' ' LEU . 1.2 mt -116.29 150.13 38.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.66 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 94' ' ' LEU . 0.7 OUTLIER -151.73 135.57 16.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.171 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD21 ' CD1' ' A' ' 57' ' ' TRP . 5.4 tt -84.07 150.55 25.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.561 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.411 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -106.99 129.06 54.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.379 . . . . 0.0 110.946 -179.815 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -106.66 124.08 49.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -116.74 79.36 9.77 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.953 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.33 -45.81 0.32 Allowed 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.631 2.221 . . . . 0.0 112.256 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 mtt -112.0 -27.02 8.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -59.14 133.65 52.43 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 137.31 -10.2 3.81 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.758 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.3 p -84.78 -170.65 3.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 110.808 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -87.66 19.18 3.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.51 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.13 -173.91 0.22 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 110.781 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -99.42 -65.04 0.99 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -71.58 143.81 49.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -110.73 89.02 8.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.052 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -82.97 151.81 14.29 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.683 2.255 . . . . 0.0 112.261 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 14.7 p90 -171.04 153.72 3.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.069 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.35 165.1 22.47 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.292 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 149' ' ' GLU . . . -136.73 153.48 21.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.813 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.81 128.33 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.788 0.327 . . . . 0.0 110.739 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -171.69 -164.74 27.8 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.606 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.1 m -112.37 154.05 13.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 111.092 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -122.71 126.18 47.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.423 ' CE1' ' HA ' ' A' ' 93' ' ' THR . 7.4 p90 -136.03 117.68 14.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 2.5 t -102.82 123.85 47.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.7 m -100.35 88.01 3.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.11 165.86 11.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -98.78 157.77 16.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.26 -178.44 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -94.46 -58.77 2.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.84 27.0 4.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.987 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.24 147.65 48.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.36 158.46 9.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 50.4 m -77.16 -56.91 4.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -83.01 129.05 35.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -67.52 -45.88 74.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -31.54 70.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.25 -22.25 64.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.309 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.92 -32.28 73.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.887 0.375 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.18 29.55 8.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.56 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -82.89 120.53 25.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.761 0.315 . . . . 0.0 110.882 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.6 m -119.01 -45.58 2.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 84.2 p -102.53 174.04 6.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 60.9 169.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.03 117.96 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.3 mt -106.79 158.28 17.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -136.71 118.82 15.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -87.25 -37.99 16.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.782 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.855 ' CB ' HD13 ' A' ' 171' ' ' ILE . 4.8 p -170.74 123.63 0.64 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -165.07 112.88 1.01 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -139.95 167.34 25.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.547 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 6.1 mt -81.19 142.85 32.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.796 0.331 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -130.89 130.02 43.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.088 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -133.33 145.84 17.82 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.318 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 113' ' ' GLY . 9.3 pt-20 -129.29 152.18 49.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.885 0.374 . . . . 0.0 111.134 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 4.0 mt -146.7 119.86 8.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.682 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -173.96 -144.94 4.99 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.588 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -164.25 140.17 6.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -92.87 117.9 30.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.732 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -106.4 85.95 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.976 0.417 . . . . 0.0 111.198 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.565 ' HB3' HD12 ' A' ' 161' ' ' LEU . 4.2 ptm -79.1 140.89 37.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.024 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 156' ' ' LEU . 6.0 mp -89.01 -27.17 21.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.699 179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 75.06 3.28 4.11 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -85.55 -45.0 12.18 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.925 0.393 . . . . 0.0 110.667 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.05 -32.34 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.655 -179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -158.91 -172.45 3.81 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.019 0.438 . . . . 0.0 111.747 -179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.34 153.98 31.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.437 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.01 129.24 55.45 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.887 0.375 . . . . 0.0 111.074 -179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -113.03 119.88 39.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -135.66 127.22 28.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.859 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -168.35 169.13 10.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.149 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.694 HG22 ' O ' ' A' ' 198' ' ' VAL . 34.1 t -96.92 115.87 37.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.978 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.4 m95 -95.24 129.85 42.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -138.36 101.42 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 6.7 ptp -124.18 122.19 37.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -131.05 100.14 5.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.855 HD13 ' CB ' ' A' ' 143' ' ' SER . 1.7 pp -76.88 103.57 4.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -139.91 145.57 38.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 18.7 m -127.92 146.22 50.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.1 166.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -112.08 167.18 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 12.0 t -68.98 -31.16 69.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 28.5 mm -118.02 139.13 46.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.126 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -66.64 132.33 47.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 95.85 -139.26 14.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.397 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.68 157.09 3.8 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.52 2.147 . . . . 0.0 112.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 43.7 m -120.15 -52.74 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -164.83 -178.21 5.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.08 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 183' ' ' LEU . 10.8 mt -137.45 117.27 13.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -161.49 77.54 0.17 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 185' ' ' VAL . 4.9 m -102.08 88.6 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.359 . . . . 0.0 111.145 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -164.27 159.13 19.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -145.94 -56.27 0.29 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 77.6 p -71.84 111.51 7.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -66.8 0.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 21.4 t -149.13 -47.63 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -165.64 -53.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 192' ' ' VAL . 5.8 m -133.54 95.66 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.162 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -88.05 90.43 8.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 12.3 p -166.81 137.56 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.036 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -110.46 95.09 21.04 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -50.05 109.65 0.31 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.63 2.22 . . . . 0.0 112.428 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -130.67 -69.53 0.65 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.694 ' O ' HG22 ' A' ' 166' ' ' VAL . 13.6 t -83.27 142.9 12.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.991 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -130.39 131.08 45.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.978 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 17.4 tpp -118.28 148.87 42.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.797 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 6.8 mt -126.73 117.73 48.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.127 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . 0.4 ' HA2' ' CA ' ' A' ' 12' ' ' GLY . . . -135.02 159.97 24.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.504 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -122.14 138.23 54.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -151.65 -176.56 24.53 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.573 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -159.05 132.99 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.726 ' HA ' HG23 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -94.07 137.47 33.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.805 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.0 150.71 46.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 7.6 tp -107.52 117.05 33.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.753 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 60.48 175.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.948 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.77 0.319 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -93.65 163.29 13.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -160.18 -177.9 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.623 ' N ' ' HB2' ' A' ' 54' ' ' ALA . . . -77.06 133.48 39.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.95 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.438 ' HA2' ' CZ ' ' A' ' 51' ' ' TYR . . . 93.78 5.2 63.05 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.723 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.57 126.36 28.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.857 0.361 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -106.79 114.38 28.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.887 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 52' ' ' MET . 4.0 mp -117.08 139.53 43.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.063 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.8 mt -95.76 130.75 44.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.054 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.59 141.07 51.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.796 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -139.73 -173.97 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.407 ' HA2' ' HA2' ' A' ' 202' ' ' GLY . . . -172.09 155.16 23.12 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 3.5 p90 -138.7 135.91 35.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 111.024 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.13 141.07 42.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -159.31 110.93 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.756 HG22 ' HD3' ' A' ' 18' ' ' PRO . 12.1 p -93.57 137.13 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -117.77 68.67 6.29 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.756 ' HD3' HG22 ' A' ' 16' ' ' VAL . 57.0 Cg_endo -70.94 160.06 50.56 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.562 2.175 . . . . 0.0 112.311 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -127.88 30.61 5.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -107.97 -68.63 0.89 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.3 m -100.03 31.1 3.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.57 -38.29 40.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t -118.08 31.16 6.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -97.59 90.34 4.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.2 mt -124.61 -44.37 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -63.83 -45.71 88.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.07 100.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -130.7 134.28 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.844 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -87.14 -140.04 6.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.431 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.38 -62.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtmp? -76.1 82.13 2.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -94.45 134.96 36.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.976 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -161.93 98.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 146.61 113.59 0.8 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.533 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.9 p -90.12 -67.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.48 98.96 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 178.23 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.1 p 53.28 80.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 m -105.61 -37.97 4.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.123 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -161.02 163.59 31.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.97 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 m -103.89 98.86 8.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.818 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -105.32 -28.62 10.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 31.5 p -96.29 23.02 7.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.14 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -82.62 124.94 30.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 1.4 pp -111.24 161.48 15.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -147.08 144.29 12.4 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.544 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 10.9 tp -118.28 148.65 42.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.722 0.296 . . . . 0.0 110.696 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 90.3 m -152.65 133.33 13.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.065 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -93.44 165.99 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.64 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -146.89 142.23 27.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.122 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.438 ' CZ ' ' HA2' ' A' ' 5' ' ' GLY . 6.3 t80 -128.24 85.67 2.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.517 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.466 ' HB2' HD11 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -63.96 135.82 56.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.667 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.476 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 1.1 t80 -113.3 134.63 54.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.623 ' HB2' ' N ' ' A' ' 4' ' ' ALA . . . -67.93 89.91 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.607 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 54' ' ' ALA . 1.2 m-20 159.43 -54.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.464 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.7 35.37 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.79 179.633 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.476 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -119.89 157.79 28.01 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.658 -0.417 . . . . 0.0 111.081 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 51' ' ' TYR . . . -161.63 126.14 1.53 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.553 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 19.7 t -102.0 111.97 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.849 0.357 . . . . 0.0 110.986 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -103.47 146.11 29.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.013 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -146.83 110.59 4.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.739 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.8 t -91.0 147.99 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.65 124.96 2.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.016 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -147.88 150.15 33.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.136 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 82.4 p -92.02 147.77 35.5 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.9 -42.16 65.81 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.51 2.14 . . . . 0.0 112.308 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -156.91 -65.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -64.1 149.41 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -111.86 158.67 19.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -97.59 -46.94 5.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.972 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.71 82.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t0 60.57 157.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.5 m -73.62 166.48 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.195 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -123.69 -59.58 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.92 114.01 2.01 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.85 -39.36 3.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.853 0.358 . . . . 0.0 110.886 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.49 134.79 2.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.9 -168.05 0.43 Allowed 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.463 2.109 . . . . 0.0 112.347 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.02 -177.09 42.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.12 -39.76 7.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.806 0.336 . . . . 0.0 110.864 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -98.92 120.37 39.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 144.58 147.28 4.63 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.433 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.27 95.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.337 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 mt -84.98 -40.7 16.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -165.37 84.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.066 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -123.43 161.6 24.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.858 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -143.26 128.25 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -86.51 133.3 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.09 91.97 3.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.846 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.2 mt -139.57 96.03 8.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.965 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -68.1 134.94 33.16 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.491 2.128 . . . . 0.0 112.24 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -123.32 166.07 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.065 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.525 HG23 ' OD1' ' A' ' 117' ' ' ASN . 1.3 m -145.3 113.37 6.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.77 124.07 51.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.759 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.411 ' HA ' ' HA3' ' A' ' 115' ' ' GLY . 0.4 OUTLIER -139.18 138.57 37.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.115 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.15 118.31 31.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.755 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -101.81 144.02 31.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 39.9 p90 -135.55 140.23 44.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 99' ' ' TYR . 2.5 p90 -137.11 88.41 17.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.54 -27.79 15.16 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.509 2.14 . . . . 0.0 112.273 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 33.1 mtm -108.13 30.69 6.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -125.46 146.31 16.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.399 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 131.68 -1.79 5.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.733 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.667 HG23 ' H ' ' A' ' 106' ' ' SER . 10.0 t -84.86 -170.5 3.16 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.311 . . . . 0.0 110.668 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.73 19.19 2.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.64 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.667 ' H ' HG23 ' A' ' 104' ' ' THR . 30.6 t -68.67 136.6 53.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.841 0.353 . . . . 0.0 110.871 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.51 -33.73 70.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 154' ' ' TYR . 19.1 p90 -93.49 146.92 23.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.807 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.51 88.22 18.98 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.0 140.87 97.31 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.583 2.189 . . . . 0.0 112.344 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -154.14 137.89 16.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.793 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -150.08 141.46 8.82 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.673 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 179.35 -168.34 38.92 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.462 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mp -147.14 -178.99 6.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.326 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.411 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -178.66 -164.96 32.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.534 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.5 m -125.52 149.49 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.828 0.347 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.525 ' OD1' HG23 ' A' ' 93' ' ' THR . 3.7 m-20 -117.98 129.33 55.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -117.37 127.92 54.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 63.2 p -139.14 136.36 35.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 28.5 m -125.97 155.97 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -136.17 166.01 24.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -69.88 167.85 16.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -79.7 117.83 20.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.75 125.13 35.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.791 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.88 27.08 5.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.8 -34.51 6.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -100.26 130.09 46.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.108 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 3.1 p -145.93 -47.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -111.21 31.32 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.421 ' HG2' ' CD2' ' A' ' 135' ' ' PHE . 17.8 ttt180 -60.46 -49.52 77.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -68.13 -32.31 72.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -32.47 72.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -63.02 -25.03 68.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.11 43.94 1.14 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.446 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.421 ' CD2' ' HG2' ' A' ' 130' ' ' ARG . 0.2 OUTLIER -74.44 104.4 5.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.814 0.34 . . . . 0.0 110.879 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.87 -31.66 8.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.981 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.2 p -121.38 167.25 13.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.983 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 60.55 94.63 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.77 160.43 16.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.423 ' HA ' HD13 ' A' ' 140' ' ' LEU . 3.8 mm? -92.06 164.89 13.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -103.04 99.04 8.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -154.14 31.77 0.44 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.97 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.24 170.92 12.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.819 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 34.0 p90 -103.53 156.74 17.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.927 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -162.82 -179.88 37.66 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.444 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -94.29 127.27 40.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.92 172.13 6.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.404 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -130.88 160.36 23.24 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.649 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -156.04 125.09 6.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.336 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.552 ' O ' HG22 ' A' ' 166' ' ' VAL . 0.3 OUTLIER -157.56 116.58 3.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.036 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -168.93 -144.97 4.41 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.625 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -148.53 146.84 28.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.86 0.362 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -100.5 116.85 33.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.786 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -106.25 85.66 2.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.094 -179.827 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.532 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 0.0 OUTLIER -71.26 144.61 49.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.004 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 1.3 mt -90.61 -28.0 18.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.768 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 4.2 m-80 68.94 2.04 3.4 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.97 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -85.75 -48.25 8.99 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.175 0.512 . . . . 0.0 110.3 179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -143.29 -35.7 0.39 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.907 ' HB2' ' CE2' ' A' ' 205' ' ' TYR . . . -150.03 -172.86 4.27 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.532 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 2.3 pp -116.89 173.01 6.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -124.88 146.11 49.47 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.853 0.359 . . . . 0.0 110.964 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -129.79 121.07 26.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.034 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.527 ' HG2' HG22 ' A' ' 201' ' ' ILE . 23.5 mtp -132.16 116.09 16.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.465 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -154.48 172.61 17.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.436 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 150' ' ' LEU . 30.7 m -97.01 148.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.656 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 18.0 p-90 -116.79 114.17 23.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.012 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.404 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 3.8 t80 -78.08 142.78 37.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.698 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -68.81 160.2 30.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.043 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -80.2 158.56 26.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.001 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 29.2 mt -132.58 138.89 51.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.009 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -92.5 130.56 38.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.2 p -74.04 161.18 30.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.24 129.22 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -109.72 77.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 1.3 m -161.07 118.75 2.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 177' ' ' ILE . 7.0 tt -172.03 59.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.033 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -88.25 112.48 22.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 160.28 92.07 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.43 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -51.67 124.36 14.25 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.524 2.149 . . . . 0.0 112.407 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 7.3 t -151.55 123.78 8.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -96.83 170.55 9.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 60.5 29.92 19.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -135.42 100.63 0.36 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 23.1 m -133.14 177.08 7.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -136.72 116.85 13.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 9.6 tptp -123.75 137.11 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.4 136.13 38.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.33 -47.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 191' ' ' ASP . 21.5 t -143.84 157.91 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.467 ' N ' HG12 ' A' ' 190' ' ' VAL . 5.3 m-20 -98.68 29.88 3.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 193' ' ' ASP . 21.5 t 60.84 155.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . 0.422 ' N ' HG12 ' A' ' 192' ' ' VAL . 0.2 OUTLIER -116.29 -45.77 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 21.5 t -84.22 77.86 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.033 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -156.05 157.3 31.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.77 118.64 5.54 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.577 2.185 . . . . 0.0 112.246 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 55.5 p-90 -92.86 166.51 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.913 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.47 ' O ' HG12 ' A' ' 166' ' ' VAL . 19.9 m -131.37 158.97 43.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.055 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -146.48 117.17 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 3.0 ttt -110.37 137.02 48.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.527 HG22 ' HG2' ' A' ' 164' ' ' MET . 1.5 pt -138.99 114.47 8.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.083 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . 0.407 ' HA2' ' HA2' ' A' ' 12' ' ' GLY . . . -132.4 -171.63 12.83 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.722 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -137.07 143.59 42.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.76 0.314 . . . . 0.0 110.96 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.474 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -147.35 -168.72 14.17 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.578 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.907 ' CE2' ' HB2' ' A' ' 160' ' ' ALA . 61.6 m-85 -142.67 161.06 39.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.53 138.12 50.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.29 129.31 38.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 3.2 mt -112.08 116.18 30.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -140.52 35.15 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.846 0.355 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -80.82 99.13 8.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -114.1 -178.36 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . . . -75.4 129.9 38.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.084 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 93.08 5.11 64.26 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.795 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.33 137.93 58.24 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.893 0.378 . . . . 0.0 110.835 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -98.38 104.95 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.706 HG23 ' OG1' ' A' ' 50' ' ' THR . 3.1 tt -127.38 145.36 34.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.638 HD11 ' HB3' ' A' ' 205' ' ' TYR . 2.7 pt -114.45 154.04 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.134 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -138.01 159.95 40.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -132.28 -172.04 12.94 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.49 176.6 34.59 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.529 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -136.48 148.47 47.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.767 0.318 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -82.44 132.86 35.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.994 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 38.3 p -126.88 102.69 7.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.2 m -59.48 -177.84 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -162.52 -65.42 0.01 OUTLIER Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.026 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 48.6 Cg_endo -68.93 146.92 66.93 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.417 2.078 . . . . 0.0 112.214 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -115.43 -44.63 2.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -59.73 -32.35 70.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.22 111.92 24.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 19.7 m -156.34 -173.92 4.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.423 ' O ' HG11 ' A' ' 39' ' ' VAL . 63.0 m -133.18 149.44 52.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 60.4 172.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.589 HG22 ' O ' ' A' ' 25' ' ' ILE . 23.0 mm 63.71 31.15 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.2 115.02 8.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.843 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.15 84.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -174.01 109.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -119.9 48.35 0.95 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.527 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.37 80.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.34 . . . . 0.0 111.1 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -111.18 137.27 49.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -124.36 -178.79 4.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.48 30.9 20.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.99 147.37 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.447 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 42.0 p -97.36 -43.07 7.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.773 0.32 . . . . 0.0 110.933 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.6 mttp 60.65 97.26 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.71 106.43 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.2 p -147.07 37.48 0.95 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG11 ' O ' ' A' ' 23' ' ' SER . 12.3 m -111.19 -17.83 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.437 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.95 151.97 4.31 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.822 0.344 . . . . 0.0 111.142 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.68 37.3 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -148.25 94.08 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.6 m -59.85 -45.27 92.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.0 162.66 26.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.792 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.513 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -85.17 -174.65 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -74.89 155.43 48.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.555 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 mt -129.86 132.1 46.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 0.0 110.757 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.915 HG22 ' HA ' ' A' ' 62' ' ' VAL . 50.0 p -141.48 130.46 23.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.072 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.43 ' CE1' HG22 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -93.21 153.86 18.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 179.702 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.706 ' OG1' HG23 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -144.5 140.19 28.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.914 0.388 . . . . 0.0 111.201 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -130.25 94.37 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.447 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.82 136.12 55.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.358 -179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -114.22 170.46 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.757 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.762 ' HB2' ' HB2' ' A' ' 4' ' ' ALA . . . -61.54 154.67 24.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.667 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER 79.55 -60.5 0.33 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.834 179.86 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 161.37 46.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.418 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -111.18 175.27 5.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.048 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 97' ' ' GLN . . . -178.11 145.36 6.93 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.6 t -107.98 112.01 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.819 0.342 . . . . 0.0 110.963 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.74 150.02 23.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.238 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.1 tp -146.72 123.76 11.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.68 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.915 ' HA ' HG22 ' A' ' 48' ' ' THR . 12.9 t -90.96 137.58 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.287 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -165.91 179.59 5.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.006 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -165.35 147.29 7.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 26.4 m -126.67 138.58 32.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.797 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -71.3 -169.48 0.41 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.473 2.115 . . . . 0.0 112.299 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -105.64 -42.66 5.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -78.56 115.59 18.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -92.12 69.73 5.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.832 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.42 92.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 71' ' ' VAL . 11.1 p -134.18 114.51 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.059 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -143.94 86.19 1.85 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.2 m -112.59 -29.41 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.36 -49.89 74.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.962 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 173.1 -150.3 12.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.533 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 mp -122.53 170.56 9.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.733 0.301 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.29 61.28 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.31 145.14 36.85 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.542 2.161 . . . . 0.0 112.365 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.0 133.32 5.17 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.532 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.1 tp -86.85 -30.92 21.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -58.73 89.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.948 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 147.62 44.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.507 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.6 168.07 10.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.0 mt 60.01 76.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -114.4 -57.84 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.012 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -105.69 -179.89 4.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 17.1 mt -72.72 136.5 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 14.2 mtmm -128.6 121.04 27.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -124.6 -44.1 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.965 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.7 mp 61.56 165.1 0.1 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -64.85 126.04 15.89 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.526 2.15 . . . . 0.0 112.227 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -158.79 140.97 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.518 HG23 ' CG ' ' A' ' 117' ' ' ASN . 0.2 OUTLIER -102.39 132.64 48.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.087 -179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 95' ' ' LEU . 1.6 tp -111.72 144.36 41.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.518 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -159.91 135.64 8.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.166 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 96' ' ' LEU . 14.0 mt -94.8 120.74 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.676 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 58' ' ' GLY . 1.0 OUTLIER -101.92 119.76 39.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.43 ' CZ ' ' HA3' ' A' ' 112' ' ' GLY . 16.5 p90 -121.8 150.22 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.824 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -112.97 91.82 19.24 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -65.5 -52.07 1.19 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.096 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.0 -27.02 8.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.099 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -55.07 117.3 8.02 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.662 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 153.41 45.07 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.211 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -153.95 -170.89 3.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.674 0.273 . . . . 0.0 110.678 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -77.48 5.37 9.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.66 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 10.0 p -58.09 139.23 55.13 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.891 0.377 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.39 -48.75 80.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -96.53 136.27 37.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -108.67 92.73 10.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -68.03 133.86 30.18 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.464 2.109 . . . . 0.0 112.229 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -139.35 159.28 42.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.996 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.43 ' HA3' ' CZ ' ' A' ' 98' ' ' TYR . . . -116.31 146.11 18.79 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.314 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.463 ' O ' HD12 ' A' ' 114' ' ' LEU . . . -131.34 147.43 18.54 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.711 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -165.65 129.49 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.33 . . . . 0.0 110.728 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.426 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -172.58 -164.67 28.42 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.67 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.649 HG21 ' CE2' ' A' ' 118' ' ' TYR . 11.1 p -125.16 146.54 30.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.134 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.518 ' CG ' HG23 ' A' ' 93' ' ' THR . 46.7 t30 -116.29 114.05 23.82 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.649 ' CE2' HG21 ' A' ' 116' ' ' VAL . 15.0 m-85 -131.68 127.89 37.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 68.3 p -114.75 133.04 56.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -97.88 134.11 41.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -129.05 139.16 52.15 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.997 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -101.15 135.08 43.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -120.97 111.98 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -112.63 -35.99 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -94.18 -36.8 11.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.2 mp 60.65 95.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.64 126.73 34.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -142.92 104.31 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -155.51 107.58 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -73.99 -31.22 62.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -76.63 -30.17 56.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.52 -41.66 85.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.86 -30.96 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 60.84 28.46 68.42 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -104.99 153.52 21.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.4 p -60.26 -56.24 23.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.3 160.01 14.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.5 mtt -123.53 34.07 5.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.024 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -141.02 97.57 3.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.28 145.76 26.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.32 106.92 17.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -105.79 -66.18 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 16.0 m -148.83 98.25 2.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.85 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . 0.686 ' HE3' HG21 ' A' ' 171' ' ' ILE . 7.4 t90 -157.91 136.74 11.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.013 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.403 ' CA ' ' HB ' ' A' ' 171' ' ' ILE . . . 123.98 177.05 14.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.549 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.586 ' H ' HD23 ' A' ' 146' ' ' LEU . 0.5 OUTLIER -58.85 155.79 12.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 0.0 110.735 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.554 ' HB3' HD11 ' A' ' 95' ' ' LEU . . . -126.62 159.02 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.239 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -159.02 144.94 10.8 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.393 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.432 ' CD ' HD22 ' A' ' 95' ' ' LEU . 71.8 mt-10 -132.91 147.14 52.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 166' ' ' VAL . 0.8 OUTLIER -153.84 118.72 5.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.964 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 175.69 -145.19 7.55 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.576 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -146.61 176.12 10.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.861 0.363 . . . . 0.0 110.95 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -118.15 114.13 22.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -97.22 85.83 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.883 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.511 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 19.6 ptt? -75.12 146.97 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.273 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 7.2 mt -98.26 -23.75 15.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.763 179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.406 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 1.6 m120 68.88 7.8 6.41 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.846 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -85.65 -48.37 8.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.191 0.52 . . . . 0.0 110.244 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.28 -36.09 0.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.688 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . 0.4 ' HB1' ' O ' ' A' ' 204' ' ' GLY . . . -152.23 -172.61 4.28 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.75 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.511 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -116.71 170.33 8.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.848 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -117.36 148.88 41.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.089 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -124.52 118.31 26.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 24.5 mtt -126.06 128.61 47.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -169.05 169.81 9.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.194 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 150' ' ' LEU . 6.4 m -96.99 126.25 49.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -105.36 146.44 29.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -163.57 134.57 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.793 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.2 ptp -158.5 103.5 1.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.145 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -131.24 119.2 21.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . 0.686 HG21 ' HE3' ' A' ' 144' ' ' TRP . 3.8 tp -76.86 139.81 18.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -124.42 97.8 5.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 41.7 p -86.86 136.08 33.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -164.5 134.83 4.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 178' ' ' ASN . . . -72.96 178.86 4.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.055 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 22.9 t -105.88 -31.7 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.0 pt -92.51 -29.0 4.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.147 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.533 ' HB2' ' HB3' ' A' ' 175' ' ' ALA . 3.6 m-20 -82.32 128.19 33.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -96.27 -150.03 26.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.475 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.42 161.0 3.05 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.541 2.161 . . . . 0.0 112.33 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.85 26.67 9.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.007 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -179.77 134.08 0.11 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -131.19 173.0 11.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 153.21 -28.49 0.79 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.548 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 9.7 p -159.38 151.83 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -72.33 97.13 1.97 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -169.19 177.78 4.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.795 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 189' ' ' LYS . 0.2 OUTLIER -117.5 173.81 6.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . 0.421 ' H ' HG22 ' A' ' 188' ' ' THR . 2.2 mppt? -128.81 91.31 3.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 190' ' ' VAL . 11.5 p -119.39 115.2 46.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.112 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -150.6 145.7 26.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.518 HG12 HG22 ' A' ' 194' ' ' VAL . 20.5 t -95.5 -61.99 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.094 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 3.5 p30 44.34 39.23 2.93 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.451 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.518 HG22 HG12 ' A' ' 192' ' ' VAL . 27.3 m -156.3 -177.55 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.055 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -56.29 138.93 74.0 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -68.5 -46.43 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.459 2.106 . . . . 0.0 112.304 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 4.2 m0 -161.47 137.53 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.44 138.19 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.95 118.71 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.801 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.29 124.97 53.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 1.7 pt -110.72 147.23 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -149.11 -169.74 16.02 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 203' ' ' PHE . 6.8 m-85 -121.83 178.81 4.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.356 . . . . 0.0 110.971 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . 0.4 ' O ' ' HB1' ' A' ' 160' ' ' ALA . . . -164.76 159.62 32.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.503 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.638 ' HB3' HD11 ' A' ' 9' ' ' ILE . 50.5 t80 -158.93 138.97 12.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.407 ' HD3' HD12 ' A' ' 8' ' ' ILE . 6.2 mttm -96.76 139.44 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.951 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -72.59 143.37 48.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 1.2 mt -111.31 127.92 55.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.15 94.31 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtm . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.824 0.345 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -155.1 156.32 35.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.77 -170.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.516 ' HB2' ' N ' ' A' ' 54' ' ' ALA . . . -78.55 156.58 29.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.008 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 86.62 2.4 84.75 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.825 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 149.71 26.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.837 0.351 . . . . 0.0 110.817 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -127.53 115.68 19.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.819 HG22 ' HA ' ' A' ' 206' ' ' LYS . 1.1 pt -137.4 137.22 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.052 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 10' ' ' ARG . 22.9 mm -94.87 159.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' N ' HG22 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -145.2 110.08 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -154.57 138.5 6.2 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.505 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -155.63 -175.14 26.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.492 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CD1' HD21 ' A' ' 45' ' ' LEU . 24.7 m-85 -78.19 149.88 33.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -128.14 108.31 10.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 t -166.85 117.57 0.92 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.78 107.29 20.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.065 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -140.12 128.28 12.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.18 167.29 0.78 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.486 2.124 . . . . 0.0 112.265 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -142.93 -60.01 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.821 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.23 -19.27 51.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.206 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.35 34.05 1.68 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.842 0.353 . . . . 0.0 111.04 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 79.2 p -83.16 -175.75 5.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.819 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.3 m -160.99 164.29 31.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -127.29 156.49 41.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 25' ' ' ILE . 18.3 mm 60.78 19.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.357 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.42 42.03 32.04 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.094 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' HG ' ' H ' ' A' ' 28' ' ' ASP . 8.5 tp -64.77 172.23 2.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.512 ' H ' ' HG ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -98.85 111.11 23.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -173.7 96.85 0.11 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.583 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 62.6 147.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -164.44 139.52 5.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.978 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -123.66 121.46 35.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -93.79 101.0 13.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 170.12 72.91 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.449 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.2 164.12 16.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.84 0.353 . . . . 0.0 110.809 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -123.72 116.12 22.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -142.88 85.38 1.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -74.01 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -109.34 -31.12 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.037 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -154.99 -56.65 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 p -170.35 -70.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -140.79 88.9 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -118.71 -41.85 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.4 tt0 -93.97 142.53 27.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 13' ' ' PHE . 4.2 mp -117.16 164.44 14.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -88.42 135.15 12.87 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD22 ' OG1' ' A' ' 65' ' ' THR . 3.1 tp -126.32 129.05 48.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.667 0.27 . . . . 0.0 110.63 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 61' ' ' LEU . 28.7 m -146.83 134.14 20.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 111.259 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -88.42 158.14 18.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.531 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.5 m -138.01 137.63 38.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.069 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -124.89 156.59 37.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.656 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.419 ' HG3' ' CE2' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -133.49 117.98 17.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.997 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' HB3' ' CB ' ' A' ' 57' ' ' TRP . 4.9 t80 -109.37 168.32 9.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.723 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' N ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.65 158.21 10.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.702 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 17.1 t70 80.4 -61.57 0.26 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 160.35 43.19 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.675 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.405 ' CB ' ' HB3' ' A' ' 53' ' ' PHE . 0.2 OUTLIER -104.12 157.57 17.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.33 . . . . 0.0 110.916 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -161.13 144.99 10.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -110.12 137.9 40.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.686 0.279 . . . . 0.0 110.967 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -133.28 135.73 45.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 48' ' ' THR . 0.3 OUTLIER -132.67 115.59 15.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.586 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -91.03 132.53 35.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.192 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.05 -175.01 3.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -141.28 136.67 31.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.467 ' OG1' HD22 ' A' ' 47' ' ' LEU . 77.7 m -95.17 131.0 30.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.74 114.46 1.86 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.446 2.097 . . . . 0.0 112.22 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -117.64 31.47 6.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -119.76 148.87 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.421 ' CD2' ' HG2' ' A' ' 70' ' ' GLN . 3.4 t-160 -92.86 -67.87 0.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.421 ' HG2' ' CD2' ' A' ' 69' ' ' HIS . 13.2 pt20 -178.53 -175.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.891 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.688 HG21 ' HD2' ' A' ' 74' ' ' LYS . 25.8 m -133.01 151.81 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -102.47 -62.39 1.28 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.5 t -94.27 97.19 6.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.688 ' HD2' HG21 ' A' ' 71' ' ' VAL . 22.8 tttt -131.19 -55.97 1.03 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.02 61.12 0.24 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.74 -32.21 69.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.343 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -84.17 -117.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.471 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -71.15 121.65 8.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.47 2.113 . . . . 0.0 112.297 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -108.11 112.04 3.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.541 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.1 pp -158.52 159.73 35.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.57 118.35 25.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.38 -63.79 4.83 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.513 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -143.58 -72.4 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.797 0.332 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mt -119.07 -40.73 2.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 61.65 90.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -128.27 145.81 50.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -148.21 -43.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.355 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.26 -171.28 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.854 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.48 179.28 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.421 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 2.8 mt -139.0 65.25 36.56 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 90' ' ' LEU . 8.3 Cg_exo -72.12 129.67 15.46 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.868 2.379 . . . . 0.0 112.33 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -96.05 102.92 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.8 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.9 m -101.93 121.64 42.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.504 HD12 HD11 ' A' ' 61' ' ' LEU . 1.0 OUTLIER -118.27 128.23 54.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.49 179.679 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.7 pp -147.39 162.29 39.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.947 0.403 . . . . 0.0 111.415 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.79 118.9 32.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.45 179.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.43 153.28 20.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.931 0.396 . . . . 0.0 111.192 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.78 139.98 42.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.64 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' A' ' 52' ' ' MET . 67.2 m-85 -107.56 80.98 1.01 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.119 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -68.31 -42.25 5.8 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.633 2.222 . . . . 0.0 112.186 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -125.22 29.2 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -118.58 101.55 0.89 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 151.88 44.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.21 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.423 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -152.86 -170.56 3.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.823 0.344 . . . . 0.0 110.664 -179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.423 ' H ' HG22 ' A' ' 104' ' ' THR . 26.8 p30 -75.39 2.47 11.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.698 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 94.9 p -57.26 -176.51 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.08 0 CA-C-O 120.86 0.362 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.45 -42.92 4.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -99.21 139.35 34.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -118.17 79.99 15.04 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -73.12 131.83 17.23 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.574 2.183 . . . . 0.0 112.439 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -137.58 165.9 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.743 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -159.96 144.67 10.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.59 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.31 -164.93 32.69 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.493 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.5 pp -144.07 179.9 6.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.793 0.33 . . . . 0.0 110.96 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -172.39 -164.91 28.66 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.543 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' A' ' 144' ' ' TRP . 25.5 m -128.9 145.24 36.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 0.0 111.126 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -108.14 141.95 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -135.15 135.91 41.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 1.7 p -113.8 104.34 12.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 3.5 t -97.86 125.65 42.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -132.81 156.08 47.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.921 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -111.1 154.51 24.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.408 ' HB3' HD13 ' A' ' 126' ' ' LEU . 14.6 m-20 -152.54 34.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -74.6 -27.12 60.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -96.33 27.06 3.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.408 HD13 ' HB3' ' A' ' 123' ' ' ASP . 0.2 OUTLIER -75.99 165.77 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.909 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -97.67 175.16 6.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.67 178.62 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -101.66 129.54 47.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.74 -38.22 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -62.14 -34.18 75.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.79 -34.44 75.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.082 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.17 -29.73 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.02 30.25 3.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.629 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -85.76 110.99 19.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.779 0.323 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.9 t -126.95 -54.21 1.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 59.6 p -98.94 162.78 12.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 4.2 mtt 60.47 90.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -96.06 -60.56 1.61 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.35 158.19 24.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -71.49 159.47 34.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -150.98 86.41 1.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 49.9 m -155.77 150.26 25.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . 0.414 ' CD1' ' HB ' ' A' ' 116' ' ' VAL . 0.1 OUTLIER -156.01 126.08 6.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -106.95 136.91 13.65 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.429 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.8 mp -75.52 107.69 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 110.924 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -104.8 171.01 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.028 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.427 ' N ' ' HB3' ' A' ' 168' ' ' TYR . . . -125.12 153.82 18.11 Favored Glycine 0 C--N 1.33 0.247 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.757 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -155.93 116.99 3.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.756 0.312 . . . . 0.0 110.937 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.546 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 2.5 pp -157.95 140.07 14.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.974 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -177.06 -147.61 6.72 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.721 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.1 p90 -146.36 155.02 42.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -118.38 134.19 55.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.849 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.401 ' O ' ' HB3' ' A' ' 162' ' ' PHE . 91.2 t80 -118.83 85.46 2.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.972 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.642 ' HB3' HD23 ' A' ' 161' ' ' LEU . 3.9 ptt? -69.46 149.94 47.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.988 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 157' ' ' ASN . 5.5 mp -110.04 -33.07 6.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 156' ' ' LEU . 60.9 m-20 72.43 0.41 3.59 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.838 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -85.47 -47.96 9.43 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.153 0.501 . . . . 0.0 110.302 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -137.26 -36.57 0.65 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.795 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -161.58 -172.94 3.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.836 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.642 HD23 ' HB3' ' A' ' 155' ' ' MET . 1.5 mp -117.0 170.48 8.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.487 ' HE1' HD12 ' A' ' 201' ' ' ILE . 55.6 t80 -111.55 148.81 32.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.842 0.353 . . . . 0.0 111.013 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -148.04 132.26 17.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.654 ' HG3' HG22 ' A' ' 201' ' ' ILE . 12.2 ttt -156.65 150.65 24.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.76 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.546 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -168.9 173.96 6.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 111.389 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 15.2 t -96.98 142.36 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -108.17 107.03 17.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.427 ' HB3' ' N ' ' A' ' 148' ' ' GLY . 39.5 t80 -78.72 148.64 32.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.51 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 2.7 ptp -68.62 156.57 37.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -105.5 167.12 9.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.97 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 25.9 mm -86.88 125.69 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -134.21 141.27 46.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.8 t -66.49 116.04 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.62 -36.21 7.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -88.99 145.11 25.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.065 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.73 32.01 2.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 16.1 pt -154.15 179.58 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.16 149.89 22.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 155.62 123.85 0.84 Allowed Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.02 -43.57 1.56 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.466 2.111 . . . . 0.0 112.275 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.19 115.96 21.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -121.76 138.08 54.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.77 118.66 8.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -156.37 147.56 16.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 26.9 m -137.39 140.04 42.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.799 0.333 . . . . 0.0 111.155 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -82.76 170.12 15.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.792 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.67 164.07 6.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -161.41 105.58 1.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.68 66.8 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.066 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 191' ' ' ASP . 10.2 t 58.77 162.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . 0.478 ' N ' HG12 ' A' ' 190' ' ' VAL . 13.6 t0 71.41 123.11 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 21.2 t 59.42 82.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.12 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.36 -55.67 3.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.462 ' O ' HG23 ' A' ' 194' ' ' VAL . 8.9 m -74.68 89.89 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.092 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . 0.424 ' N ' ' HD2' ' A' ' 196' ' ' PRO . 0.3 OUTLIER -63.93 -61.2 7.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.967 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 195' ' ' ASP . 37.6 Cg_endo -66.21 157.71 58.5 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.449 2.1 . . . . 0.0 112.238 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 32.3 m95 -89.37 159.97 17.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.488 HG12 ' N ' ' A' ' 199' ' ' TYR . 11.1 t -98.25 162.27 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . 0.488 ' N ' HG12 ' A' ' 198' ' ' VAL . 4.7 t80 -106.29 136.09 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -92.15 166.8 12.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.654 HG22 ' HG3' ' A' ' 164' ' ' MET . 40.3 pt -98.89 146.41 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.988 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -133.34 -167.38 11.64 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -121.98 178.96 4.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.846 0.355 . . . . 0.0 110.758 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.24 167.69 21.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.516 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 61.6 m-85 -154.61 135.07 13.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.849 0.357 . . . . 0.0 110.832 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.819 ' HA ' HG22 ' A' ' 8' ' ' ILE . 5.9 pttt -100.01 128.06 46.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.958 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -124.97 169.06 12.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 2.1 mt -117.56 140.12 50.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -167.51 123.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.809 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.1 mtt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.777 0.322 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -115.87 104.0 11.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -172.76 166.7 5.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.94 130.56 36.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.042 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 92.65 5.23 64.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.636 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.15 124.37 17.64 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.809 0.338 . . . . 0.0 110.905 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.449 ' O ' HD13 ' A' ' 8' ' ' ILE . 59.9 m-85 -81.88 117.52 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 7' ' ' PHE . 26.4 mm -128.74 137.69 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.043 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.611 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.3 pp -122.69 118.44 55.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -126.26 135.34 51.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 178.26 137.97 2.98 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.615 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.59 -175.01 28.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.462 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.511 ' CE2' HD11 ' A' ' 201' ' ' ILE . 53.5 p90 -62.32 130.29 44.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.781 0.324 . . . . 0.0 110.812 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.35 146.85 27.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.212 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.8 p -141.99 88.87 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.774 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.403 HG23 ' N ' ' A' ' 17' ' ' ASP . 15.9 m -136.54 -43.31 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.366 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' N ' HG23 ' A' ' 16' ' ' VAL . 2.8 m-20 65.13 91.57 0.07 OUTLIER Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.881 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -50.3 163.43 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.626 2.217 . . . . 0.0 112.442 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -145.65 51.47 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -76.95 -30.06 55.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.048 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 6.4 m -103.35 -60.45 1.56 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.063 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.5 p -93.37 156.91 16.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 m -157.31 150.18 23.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.67 79.38 1.79 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.939 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.9 pt -118.02 -35.29 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.197 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -65.64 1.04 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mt -159.61 129.6 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.797 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -80.56 162.0 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -80.13 150.5 32.19 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.65 105.21 7.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.767 0.318 . . . . 0.0 111.034 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -160.4 -58.38 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -119.7 -41.43 2.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -100.69 143.46 30.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -159.08 -100.13 0.16 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.14 43.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.84 148.34 49.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 67.04 -72.66 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.17 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 51.79 91.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.3 m -111.95 -41.18 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.114 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -92.11 110.98 22.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -146.37 -50.21 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.955 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -100.32 79.61 2.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.8 t -70.35 -43.44 70.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -135.85 157.61 46.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HG ' ' HA ' ' A' ' 13' ' ' PHE . 6.8 mp -109.47 162.33 14.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -112.38 136.44 13.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.515 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mp -126.86 137.23 53.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 110.775 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.87 HG22 ' HA ' ' A' ' 62' ' ' VAL . 40.3 p -141.09 150.97 43.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.091 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.611 ' HD1' HG22 ' A' ' 9' ' ' ILE . 27.9 m-85 -113.51 111.34 21.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.71 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.406 ' HB ' ' HB ' ' A' ' 8' ' ' ILE . 63.1 m -96.88 142.9 28.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.171 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -122.12 95.07 4.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.73 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.4 ttt -59.96 130.67 47.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.377 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.481 ' HB2' ' HB3' ' A' ' 57' ' ' TRP . 2.7 m-85 -109.83 129.07 55.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.855 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 55' ' ' ASP . . . -66.87 86.96 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.537 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER 162.81 -55.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.248 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.9 OUTLIER 160.42 36.59 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.87 179.336 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.481 ' HB3' ' HB2' ' A' ' 53' ' ' PHE . 0.0 OUTLIER -123.11 163.74 19.98 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.424 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -163.57 122.59 1.11 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.399 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.8 111.87 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.768 0.318 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -117.58 138.17 52.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.245 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 94' ' ' LEU . 11.3 mt -123.41 144.61 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.663 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.87 ' HA ' HG22 ' A' ' 48' ' ' THR . 23.7 t -102.64 132.36 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.143 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.11 137.26 3.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.995 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -127.44 150.72 49.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.085 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.8 m -98.87 138.55 20.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.01 -45.21 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.521 2.147 . . . . 0.0 112.298 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -164.93 143.92 6.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.03 -170.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -127.22 167.73 15.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.36 153.23 39.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.851 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.2 p -179.04 -37.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.9 t0 70.22 -65.57 0.31 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.465 HG21 ' HB2' ' A' ' 76' ' ' LEU . 11.4 p -138.22 142.17 36.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.106 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -96.24 42.59 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.1 112.51 3.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.549 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.465 ' HB2' HG21 ' A' ' 73' ' ' VAL . 0.3 OUTLIER -167.32 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.833 0.349 . . . . 0.0 110.93 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -168.14 117.71 0.74 Allowed Glycine 0 CA--C 1.52 0.348 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.99 -45.73 1.88 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.494 2.129 . . . . 0.0 112.286 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -100.11 119.57 6.56 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -170.53 -42.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.862 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -110.21 148.55 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -172.48 98.03 0.12 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.504 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.86 118.53 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mp 60.31 163.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.93 177.64 4.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.58 97.35 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 pt -131.31 110.46 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.59 ' HE3' HG21 ' A' ' 120' ' ' THR . 0.2 OUTLIER 60.12 81.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.866 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -109.96 -63.32 1.39 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 mt -133.71 155.86 80.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.824 ' HB3' HG22 ' A' ' 119' ' ' THR . 54.3 Cg_exo -52.01 148.41 23.69 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.613 2.209 . . . . 0.0 112.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -157.2 143.31 17.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.054 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.523 ' O ' HD23 ' A' ' 61' ' ' LEU . 1.3 m -115.66 144.51 43.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.03 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD12 HD21 ' A' ' 61' ' ' LEU . 3.1 tp -132.06 129.12 39.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.73 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.629 HD21 ' CB ' ' A' ' 147' ' ' ALA . 4.2 mp -139.22 162.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.105 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 mt -124.96 122.33 37.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.75 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.9 mp0 -101.93 139.49 37.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.418 ' CE2' ' HG3' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -114.45 135.98 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -106.67 79.76 0.67 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.51 -44.35 2.3 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.544 2.163 . . . . 0.0 112.278 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -106.64 30.19 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -107.59 130.3 10.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.505 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 143.29 -17.74 2.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.577 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.438 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -84.82 -170.76 3.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.801 0.334 . . . . 0.0 110.811 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.438 ' H ' HG22 ' A' ' 104' ' ' THR . 7.7 p30 -89.67 19.06 4.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.412 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.84 131.73 47.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.769 0.318 . . . . 0.0 110.777 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.82 82.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.217 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -81.38 137.82 35.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.71 85.26 3.77 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.57 151.13 58.34 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.622 2.215 . . . . 0.0 112.303 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -157.25 138.03 13.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -136.68 146.87 18.86 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -179.71 -164.99 32.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.51 -178.96 5.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.786 0.327 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.15 -165.0 30.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.587 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 29.9 m -137.0 164.41 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.423 ' HA ' HG23 ' A' ' 93' ' ' THR . 5.2 t-20 -138.93 124.16 19.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -134.33 127.11 31.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.824 HG22 ' HB3' ' A' ' 91' ' ' PRO . 4.6 p -122.69 131.31 53.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.59 HG21 ' HE3' ' A' ' 88' ' ' LYS . 75.9 p -121.18 113.03 19.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.01 129.59 51.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.769 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -65.43 172.01 3.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -140.12 119.84 13.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.39 -177.13 5.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -114.29 -38.17 4.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.6 pp -75.46 -33.78 60.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.44 137.92 44.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.25 160.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -127.42 145.92 50.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 135' ' ' PHE . 0.0 OUTLIER -80.97 -48.13 12.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.914 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -74.2 -30.11 62.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.22 -42.15 85.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.69 -34.02 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.808 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 70.08 44.97 58.79 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.719 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 130' ' ' ARG . 6.3 p90 -93.05 145.69 24.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.761 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -130.02 17.1 5.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.244 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.5 p -134.03 132.75 40.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.7 mtt -70.11 130.24 41.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -103.89 107.46 18.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.5 117.34 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -130.02 30.38 4.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.06 30.56 3.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 15.6 m -83.87 146.71 27.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 58.2 p-90 -120.38 125.42 47.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -99.62 -177.63 31.09 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.494 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.86 132.58 43.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.81 0.338 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.629 ' CB ' HD21 ' A' ' 95' ' ' LEU . . . -105.56 153.42 21.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.083 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -127.86 160.95 21.85 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -150.36 120.37 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.959 0.409 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -149.63 112.88 4.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.761 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 176.69 -144.86 7.1 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.624 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -158.61 160.87 37.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.895 0.378 . . . . 0.0 110.847 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -122.35 115.78 22.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.404 ' O ' ' CB ' ' A' ' 162' ' ' PHE . 13.1 t80 -90.48 85.24 6.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.882 0.372 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.84 ' HB3' HD22 ' A' ' 161' ' ' LEU . 3.2 mtm -70.99 151.16 44.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.628 HD23 ' HB2' ' A' ' 158' ' ' GLU . 2.4 tp -110.22 -40.01 4.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.725 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 1.9 t30 78.14 -4.49 2.2 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.734 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.628 ' HB2' HD23 ' A' ' 156' ' ' LEU . 1.3 mm-40 -85.33 -44.14 13.08 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.059 0.457 . . . . 0.0 110.562 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.94 -36.0 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -164.21 -173.01 2.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.84 HD22 ' HB3' ' A' ' 155' ' ' MET . 0.9 OUTLIER -117.0 168.95 9.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.672 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.404 ' CB ' ' O ' ' A' ' 154' ' ' TYR . 3.6 t80 -115.88 136.97 52.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.749 0.309 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -122.01 130.51 53.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.632 ' HG2' HG22 ' A' ' 201' ' ' ILE . 0.5 OUTLIER -151.48 115.95 5.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.722 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -162.46 167.89 22.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.351 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 29.7 t -97.11 118.29 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.947 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 10.2 m95 -104.51 124.88 50.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.51 97.56 4.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 3.7 ptm -128.46 106.52 9.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -130.83 136.7 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 4.6 pt -76.92 114.88 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.84 134.95 45.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.1 t -97.08 141.96 29.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 60.81 157.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -167.44 171.45 10.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.037 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 77.5 p -100.41 166.73 10.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.45 101.01 8.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.17 120.95 14.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.939 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -97.2 -110.98 2.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.458 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.95 139.46 69.94 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.442 2.095 . . . . 0.0 112.28 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 19.8 m -89.52 -48.21 7.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -96.87 41.35 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.89 88.23 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 152.36 160.66 9.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 31.1 m -76.2 178.32 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.925 0.393 . . . . 0.0 111.076 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 5.8 p30 -78.66 159.57 27.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -120.06 -66.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 9.7 t -107.09 134.58 50.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.36 161.87 16.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 16.6 m -139.92 157.62 26.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -147.73 -55.61 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.48 135.83 54.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -68.52 145.32 54.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 9.6 p -125.25 146.49 30.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.082 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 18.3 p30 -71.83 157.97 88.63 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -51.97 173.75 0.1 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.522 2.148 . . . . 0.0 112.322 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -131.96 -46.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 104.29 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -127.02 148.22 50.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 9.5 tpp -125.95 141.53 51.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.99 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.632 HG22 ' HG2' ' A' ' 164' ' ' MET . 2.6 pp -137.7 139.82 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.065 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -158.32 -170.04 22.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.672 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 161' ' ' LEU . 15.5 m-85 -127.62 142.32 51.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.728 0.299 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -130.95 -170.67 12.73 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.636 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -156.13 160.85 40.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -105.01 129.72 53.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.941 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.09 116.29 6.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 208' ' ' LEU . 0.5 OUTLIER -105.49 136.66 44.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -59.81 98.61 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.796 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.2 mmt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.805 0.336 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -112.69 42.76 1.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.964 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.63 148.88 26.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.718 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . . . -60.45 127.1 30.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 100.83 5.33 53.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.636 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.22 146.47 53.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.821 0.343 . . . . 0.0 111.021 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.414 ' CB ' ' CE2' ' A' ' 51' ' ' TYR . 10.2 p90 -126.97 105.02 8.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.693 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.453 HG22 ' CB ' ' A' ' 206' ' ' LYS . 1.6 pp -112.96 140.35 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.41 HD12 ' CD2' ' A' ' 49' ' ' PHE . 24.2 mm -95.0 129.55 44.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.025 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.64 136.95 52.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 176.89 137.92 2.8 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.423 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.64 162.24 19.92 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.488 ' CB ' HD11 ' A' ' 45' ' ' LEU . 51.5 p90 -147.16 179.12 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.862 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.67 83.85 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.128 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 28.8 p -150.43 30.65 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.865 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 16' ' ' VAL . 27.0 m -85.02 123.96 39.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.167 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 1.8 m-20 -72.41 -60.7 2.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' CD ' ' CB ' ' A' ' 17' ' ' ASP . 59.0 Cg_endo -72.05 159.05 51.11 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.498 2.132 . . . . 0.0 112.331 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -112.12 31.82 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -87.56 -28.6 21.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.55 -30.85 65.56 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.999 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -148.14 129.56 14.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 61.5 p -174.19 171.85 3.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -112.74 -72.98 0.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 26' ' ' LYS . 15.1 tt -167.46 -44.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' N ' HG23 ' A' ' 25' ' ' ILE . 10.7 tttm -117.88 -63.02 1.48 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.874 ' HG ' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER 60.45 43.25 13.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -59.74 -45.26 92.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -139.7 58.82 0.59 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.561 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.874 ' HB3' ' HG ' ' A' ' 27' ' ' LEU . . . -114.53 -39.34 3.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.803 0.335 . . . . 0.0 111.064 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -149.84 -48.06 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -84.65 144.48 28.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.7 -68.11 0.55 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -126.69 -132.68 3.71 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.496 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.0 m -151.76 97.48 2.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.841 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.93 -43.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.09 101.69 1.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.26 167.23 6.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.45 -49.38 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.174 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 60.68 107.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.5 115.27 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.857 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.08 98.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.6 p -86.74 -31.06 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -65.81 144.62 56.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.488 HD11 ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -101.95 165.04 11.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.747 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.457 ' HA2' ' HB2' ' A' ' 64' ' ' ALA . . . -158.56 131.32 2.76 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.584 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.438 HD23 ' O ' ' A' ' 46' ' ' GLY . 12.4 mt -124.98 142.22 51.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.723 0.297 . . . . 0.0 110.732 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.3 t -153.97 134.58 13.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.149 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.41 ' CD2' HD12 ' A' ' 9' ' ' ILE . 5.8 m-85 -91.19 108.49 19.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.583 HG23 ' HB3' ' A' ' 60' ' ' GLU . 1.1 m -93.14 149.13 21.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.963 0.411 . . . . 0.0 111.349 -179.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' CE2' ' CB ' ' A' ' 7' ' ' PHE . 89.7 m-85 -141.83 120.22 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.591 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -100.52 131.38 46.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.28 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' HB2' ' CB ' ' A' ' 57' ' ' TRP . 97.4 m-85 -115.07 168.45 9.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.852 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.718 ' HB2' ' CB ' ' A' ' 4' ' ' ALA . . . -59.26 158.5 9.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.955 -179.481 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.438 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.4 OUTLIER 81.28 -62.37 0.19 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.917 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 159.8 45.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.391 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.451 ' CB ' ' HB2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -103.86 137.76 41.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.992 -179.786 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.36 119.87 1.42 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.626 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.471 HG22 ' HG ' ' A' ' 96' ' ' LEU . 21.4 t -123.42 120.07 59.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.717 0.294 . . . . 0.0 110.919 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.583 ' HB3' HG23 ' A' ' 50' ' ' THR . 0.3 OUTLIER -136.9 149.67 47.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.79 119.62 28.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.535 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.415 HG21 ' CH2' ' A' ' 167' ' ' TRP . 20.4 t -90.9 148.02 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.515 -179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.2 116.99 5.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.047 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.457 ' HB2' ' HA2' ' A' ' 46' ' ' GLY . . . -150.47 168.62 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.992 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.2 t -110.84 139.8 22.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.15 -171.76 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.505 2.136 . . . . 0.0 112.322 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -140.16 -47.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.48 -174.28 2.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.806 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.39 145.92 14.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 60.22 64.11 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.869 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 20.0 t 68.84 -67.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.183 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -153.85 -50.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 8.1 m -139.44 179.36 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -89.69 -61.07 1.78 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.41 -128.49 5.23 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.0 mt 62.43 149.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.948 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -113.13 -76.54 0.76 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 82.62 0.73 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.533 2.155 . . . . 0.0 112.329 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 124.61 -171.85 16.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.499 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.02 101.76 1.61 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -98.24 104.06 16.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -107.51 174.5 19.57 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -105.94 171.46 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.885 0.374 . . . . 0.0 110.826 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.62 -59.16 1.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.62 91.42 0.05 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.1 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -75.4 -67.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 30.5 mt -126.27 131.04 71.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -101.0 161.6 13.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -101.12 150.24 23.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tp -106.23 100.64 30.29 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -50.89 165.77 0.42 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.457 2.104 . . . . 0.0 112.337 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.63 133.86 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.6 p -137.29 113.91 10.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.488 ' C ' HD12 ' A' ' 95' ' ' LEU . 9.8 tt -100.07 146.95 26.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.488 HD12 ' C ' ' A' ' 94' ' ' LEU . 2.8 mp -147.79 154.84 41.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.471 ' HG ' HG22 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -132.19 126.01 32.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.726 179.87 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.426 ' HB3' ' CD1' ' A' ' 111' ' ' TYR . 13.2 mt-30 -117.24 157.75 25.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.042 -179.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' HA ' ' O ' ' A' ' 56' ' ' LYS . 94.3 m-85 -126.48 128.59 47.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.839 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.418 ' CZ ' ' CE2' ' A' ' 111' ' ' TYR . 0.7 OUTLIER -59.71 109.36 1.9 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.932 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -77.1 -45.84 0.16 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.417 2.078 . . . . 0.0 112.402 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 mtm -125.71 2.32 7.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.334 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.404 ' HA3' ' CD1' ' A' ' 99' ' ' TYR . . . -61.1 124.09 34.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.444 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 155.56 -28.08 0.61 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.442 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.445 HG22 ' H ' ' A' ' 105' ' ' ASN . 0.2 OUTLIER -84.98 -170.93 3.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 110.817 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.445 ' H ' HG22 ' A' ' 104' ' ' THR . 8.8 p30 -92.77 19.1 7.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.297 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 p -67.38 141.17 57.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.742 0.306 . . . . 0.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.24 -27.35 63.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 55.4 p90 -89.59 126.43 35.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.978 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -105.88 93.94 8.3 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.62 155.0 59.66 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.569 2.179 . . . . 0.0 112.478 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 97' ' ' GLN . 0.1 OUTLIER -159.7 138.02 10.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.47 145.11 14.98 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.692 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.02 -165.0 38.16 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mp -134.71 178.7 6.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 110.955 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.72 ' C ' ' HB3' ' A' ' 147' ' ' ALA . . . -160.81 -164.98 16.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 14.5 m -141.66 143.05 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 111.122 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -116.84 124.9 50.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -128.25 134.33 48.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 29.9 m -137.28 102.03 4.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 9.7 t -97.84 145.61 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -150.54 126.21 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -100.6 148.57 24.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -145.82 -47.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -74.73 134.68 41.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -110.89 26.98 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.63 -31.98 7.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -82.6 122.99 28.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 53.5 p -175.76 133.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 60.28 92.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.947 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 27.2 ttt85 -77.17 -36.07 55.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -62.49 -32.87 73.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.03 -24.04 67.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.248 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -96.62 29.18 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.038 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 57.57 37.71 84.05 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.642 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.71 122.08 21.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.74 -56.17 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 m -146.43 155.94 42.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 1.3 tpt -171.13 -65.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.924 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -149.66 124.33 9.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.6 177.35 4.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -131.51 119.04 20.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -166.52 92.73 0.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.3 t -130.04 151.17 50.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 37.3 p90 -159.42 148.65 18.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -87.98 153.41 24.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 5.7 mp -74.98 132.47 41.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.72 ' HB3' ' C ' ' A' ' 115' ' ' GLY . . . -105.13 156.75 17.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -143.76 138.39 8.06 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.52 120.56 11.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.8 0.333 . . . . 0.0 110.946 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.06 124.65 11.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.53 -144.85 8.17 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.593 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -158.68 162.62 37.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.876 0.369 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.69 116.62 28.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.25 85.67 5.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.517 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 14.2 ptt? -66.43 153.0 43.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.103 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.559 HD23 ' HB3' ' A' ' 158' ' ' GLU . 8.7 tp -103.73 -34.71 8.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.788 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 5.7 t30 76.94 0.37 3.08 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.694 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . 0.559 ' HB3' HD23 ' A' ' 156' ' ' LEU . 22.0 tp10 -85.53 -47.99 9.36 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.125 0.488 . . . . 0.0 110.405 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -142.89 -35.34 0.41 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.828 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -155.92 -173.98 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.713 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.517 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.4 OUTLIER -116.9 173.47 6.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.13 138.93 54.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.866 0.365 . . . . 0.0 110.993 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -119.38 132.92 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 10.3 mtt -148.9 123.63 9.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . . . . . . . . . . . -160.85 179.54 8.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.199 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 198' ' ' VAL . 31.1 t -97.1 123.6 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.415 ' CH2' HG21 ' A' ' 62' ' ' VAL . 62.4 t-105 -96.49 146.93 24.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.992 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -147.54 126.7 12.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.821 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 1.7 ptm -148.86 111.13 4.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.05 90.98 2.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.825 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.8 mp -100.8 108.78 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.133 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -69.74 136.01 50.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 7.7 t -113.62 140.69 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.61 148.42 41.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -130.32 -62.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.6 p -81.9 155.53 25.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -66.89 175.59 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.08 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -82.21 143.9 31.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 177.97 -126.41 1.08 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.454 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -51.07 131.83 36.39 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.465 2.11 . . . . 0.0 112.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 14.8 t -87.84 149.09 24.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -170.5 34.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.051 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 1.8 tp -98.31 152.45 19.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -114.14 -104.6 2.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.464 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 12.0 m 41.61 69.52 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-O 120.921 0.391 . . . . 0.0 111.824 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -136.3 170.2 16.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -95.12 165.08 12.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 189' ' ' LYS . 8.7 t -136.16 -47.44 0.65 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . 0.435 ' N ' HG23 ' A' ' 188' ' ' THR . 1.1 mmtm -142.96 -71.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.0 p -109.65 -24.48 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.255 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 1.7 t0 65.83 -169.18 0.2 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 12.6 p -58.15 137.45 20.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.087 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -76.06 -47.9 22.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.968 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . . . . . . . . . 18.9 t -146.39 139.6 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.64 153.88 73.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.45 145.45 36.9 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.567 2.178 . . . . 0.0 112.276 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -113.31 156.38 23.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.599 ' O ' HG13 ' A' ' 166' ' ' VAL . 21.4 t -135.69 146.13 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.157 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -119.11 127.9 53.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 8.0 ttt -121.9 141.89 50.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . . . . . . . . . 14.6 tt -147.04 133.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -154.54 -161.05 10.23 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.592 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -121.96 165.73 15.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -141.14 167.64 25.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.535 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.401 ' N ' HD21 ' A' ' 161' ' ' LEU . 44.4 t80 -154.64 140.05 17.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.773 0.321 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.5 ' CD ' HD22 ' A' ' 161' ' ' LEU . 0.0 OUTLIER -129.78 141.01 50.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.992 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -76.62 144.63 39.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.19 116.25 28.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.13 -32.15 6.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 ttt . . . . . 0 N--CA 1.487 1.425 0 CA-C-O 120.802 0.334 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -117.11 -58.61 2.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -172.84 159.07 4.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.3 138.0 40.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.977 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 83.58 5.27 88.54 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.72 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.06 123.17 8.77 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.798 0.332 . . . . 0.0 111.087 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -100.18 112.92 25.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.611 HG23 ' O ' ' A' ' 205' ' ' TYR . 6.5 mt -119.67 140.97 41.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.621 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.401 HD11 ' HB3' ' A' ' 205' ' ' TYR . 1.6 pt -94.72 117.64 38.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.352 -179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -108.01 159.4 16.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.762 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.97 138.15 3.1 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.17 174.42 34.72 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.579 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -62.19 121.0 12.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.74 0.305 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.0 106.7 13.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.025 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 46.4 p -100.88 77.63 1.87 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.37 125.29 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -162.49 139.01 5.9 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.816 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.15 158.18 45.47 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.499 2.133 . . . . 0.0 112.192 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -94.75 44.94 1.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -74.71 -31.45 61.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.8 m -115.46 -169.79 1.64 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 64.0 m -159.85 -66.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.2 t -158.04 31.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 t0 60.48 -179.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.481 HG23 ' N ' ' A' ' 26' ' ' LYS . 1.0 OUTLIER -119.4 -44.59 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.08 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' N ' HG23 ' A' ' 25' ' ' ILE . 3.6 pttt -93.45 166.18 12.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mt -93.9 166.24 12.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.002 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -96.82 111.04 23.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.54 -177.05 21.92 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.16 -44.06 7.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 111.056 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -99.14 31.41 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -132.83 149.29 52.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.46 147.54 27.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -88.4 144.03 18.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.57 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -156.18 133.68 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -139.94 172.22 13.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.3 30.68 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.985 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 t -160.34 89.64 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.46 -45.95 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 61.08 112.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.6 p -89.38 83.21 6.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -140.64 32.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.6 m -101.09 -19.06 15.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -53.11 146.84 10.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.803 0.335 . . . . 0.0 111.081 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -67.99 163.72 21.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.77 17.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.566 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.1 159.57 20.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.614 0.245 . . . . 0.0 110.595 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 61' ' ' LEU . 5.6 m -158.03 139.8 13.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 0.0 111.543 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -90.17 163.61 14.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.154 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.0 m -146.29 135.76 23.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 111.814 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -137.69 85.8 2.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.025 179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.573 ' SD ' HD11 ' A' ' 8' ' ' ILE . 6.5 ptt? -86.88 140.49 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.302 0.572 . . . . 0.0 112.045 -179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -105.31 139.37 40.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.251 179.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -34.97 101.02 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.441 ' HA ' ' CZ ' ' A' ' 99' ' ' TYR . 25.2 t0 38.06 38.55 0.2 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.624 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -122.66 -58.12 1.69 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.227 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.743 ' CZ3' HG22 ' A' ' 59' ' ' VAL . 4.4 p-90 -168.13 -166.48 0.72 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.576 -0.449 . . . . 0.0 111.759 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.522 ' HA2' ' HA ' ' A' ' 52' ' ' MET . . . -166.23 142.32 7.57 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.561 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.743 HG22 ' CZ3' ' A' ' 57' ' ' TRP . 21.6 t -102.97 152.15 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.834 0.349 . . . . 0.0 111.191 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' C ' HD12 ' A' ' 61' ' ' LEU . 14.3 pt-20 -144.01 133.56 23.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.644 ' O ' HG23 ' A' ' 48' ' ' THR . 7.0 mp -131.96 119.15 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.698 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 19.8 t -90.88 141.5 14.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.279 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -161.42 121.65 2.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.078 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -67.91 171.61 6.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.015 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.0 m -136.34 136.11 21.89 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.87 -37.34 20.38 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.462 2.108 . . . . 0.0 112.278 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 14.4 t80 63.51 62.73 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -99.92 31.11 3.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.17 179.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.801 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.95 41.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.5 t 63.71 83.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' OD1' HG23 ' A' ' 73' ' ' VAL . 8.5 t0 -71.96 103.93 3.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 74' ' ' LYS . 20.4 t 60.42 158.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.477 ' N ' HG12 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -81.86 62.0 5.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.677 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.19 -75.25 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.549 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.3 mp -111.21 116.88 31.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -141.58 75.59 0.33 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.418 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.29 126.87 13.43 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.581 2.187 . . . . 0.0 112.274 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.517 ' O ' HD12 ' A' ' 80' ' ' LEU . . . 165.93 41.21 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.514 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 79' ' ' GLY . 0.0 OUTLIER -163.98 31.39 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.862 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -132.62 93.49 3.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.888 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -179.04 73.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.445 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -95.97 99.13 10.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.821 0.343 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.509 ' N ' HD12 ' A' ' 84' ' ' LEU . 5.7 mp 60.73 99.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.5 -68.41 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -134.17 -57.29 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.95 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.0 pt -129.77 164.87 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -71.29 88.41 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.46 -59.96 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.09 137.87 53.1 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.754 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.23 134.8 58.04 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.487 2.125 . . . . 0.0 112.318 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -127.92 137.78 52.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.148 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.685 HG22 ' CD1' ' A' ' 95' ' ' LEU . 2.9 m -117.09 132.07 56.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.643 HD12 ' CD2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -130.6 119.6 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.685 ' CD1' HG22 ' A' ' 93' ' ' THR . 6.1 mp -133.65 147.48 51.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.059 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.632 ' N ' HD12 ' A' ' 96' ' ' LEU . 1.0 OUTLIER -123.03 117.65 25.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.696 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 9.0 pm0 -102.03 153.12 20.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.002 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.433 ' CE2' ' HA2' ' A' ' 113' ' ' GLY . 8.2 p90 -129.89 145.46 51.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.872 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.495 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 1.7 p90 -142.17 84.28 11.7 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 120.934 0.397 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.43 -32.92 3.54 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.608 2.206 . . . . 0.0 112.509 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 tmm? -81.58 -27.01 34.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.191 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -68.27 161.13 50.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.474 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.45 -7.6 4.98 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.729 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.707 HG23 ' H ' ' A' ' 106' ' ' SER . 9.6 t -84.85 -170.6 3.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.835 0.35 . . . . 0.0 110.728 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -86.47 19.16 2.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.433 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.707 ' H ' HG23 ' A' ' 104' ' ' THR . 1.4 t -61.84 139.64 58.34 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.338 . . . . 0.0 110.823 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.85 -42.38 97.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.223 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -92.56 148.07 22.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.988 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -114.24 91.37 23.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.733 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -56.27 149.14 56.8 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.533 2.155 . . . . 0.0 112.392 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' A' ' 97' ' ' GLN . 20.2 m-85 -156.25 137.88 14.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.743 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -152.3 136.73 5.55 Favored Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.611 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.433 ' HA2' ' CE2' ' A' ' 98' ' ' TYR . . . -177.55 -164.58 31.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.738 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.09 -178.92 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 95' ' ' LEU . . . -170.73 -164.89 27.22 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.648 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.93 139.16 52.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . 0.596 ' OD1' HG23 ' A' ' 93' ' ' THR . 1.3 m-20 -115.31 118.44 33.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -121.8 128.18 51.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.4 t -145.54 134.33 22.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.01 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 10.0 t -100.17 143.29 30.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.64 146.32 41.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.49 148.9 33.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 25.5 p30 -154.01 51.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.95 133.65 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.1 -39.0 4.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -99.37 162.26 13.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.08 141.9 55.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 28.9 t -135.7 174.17 10.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -100.6 109.26 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 86.5 mtt180 -80.54 -31.62 36.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.69 -27.3 60.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.994 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.54 -40.16 74.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.212 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.45 -33.93 54.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 59.37 45.05 96.08 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.517 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -121.19 124.05 43.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.808 0.337 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.63 -35.8 62.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.985 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.84 170.49 15.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 23.2 mtp -74.07 167.94 20.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.79 -48.01 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.76 -22.29 59.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.182 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 65.46 167.78 0.19 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.82 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -117.3 -69.38 0.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.8 m -153.79 125.63 7.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 59.8 p-90 -164.98 123.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -135.95 -162.89 9.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.581 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -86.48 163.45 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -132.3 -176.27 4.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.186 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -154.84 150.04 21.47 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.59 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . 0.56 ' HB2' HD22 ' A' ' 95' ' ' LEU . 3.9 tm-20 -149.92 117.01 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.864 0.364 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.46 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 1.2 mt -147.04 130.46 16.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 165' ' ' ALA . . . -179.39 -147.13 7.11 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.734 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -153.25 135.07 14.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 0.0 110.767 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.404 ' HA ' ' HA ' ' A' ' 163' ' ' ASN . 21.7 m-20 -93.55 123.8 37.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.834 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.418 ' O ' ' CD2' ' A' ' 162' ' ' PHE . 0.3 OUTLIER -107.74 85.5 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.162 -179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.587 ' HB3' HD23 ' A' ' 161' ' ' LEU . 3.0 ptt? -74.6 141.41 44.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.812 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 4.7 tp -95.35 -35.61 11.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.732 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 76.42 -1.14 2.95 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.553 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -46.42 10.97 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.167 0.508 . . . . 0.0 110.473 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.11 -35.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.968 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -160.52 -174.32 4.41 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.945 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.647 ' N ' HD12 ' A' ' 161' ' ' LEU . 1.0 OUTLIER -119.07 169.02 10.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.902 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.418 ' CD2' ' O ' ' A' ' 154' ' ' TYR . 15.2 m-85 -122.82 142.47 50.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.944 0.402 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . 0.404 ' HA ' ' HA ' ' A' ' 153' ' ' ASP . 10.0 p30 -139.91 112.35 7.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.893 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.614 ' HG2' HG22 ' A' ' 201' ' ' ILE . 2.5 mtt -130.08 138.2 50.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.801 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.46 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -157.48 178.4 10.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 198' ' ' VAL . 14.3 p -96.98 123.88 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.96 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -93.96 140.53 29.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.89 122.61 32.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 24.9 ttt -123.85 100.73 6.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -126.26 93.91 3.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.946 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 1.6 pt -77.01 122.28 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -125.67 111.49 15.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 1.3 p -104.21 146.45 28.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.958 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.15 143.5 28.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -148.95 167.37 25.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.016 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.63 100.48 9.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 10.7 pt -79.97 159.19 4.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -107.65 111.89 24.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.796 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . 155.59 69.56 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.523 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.94 -55.12 2.14 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.664 2.243 . . . . 0.0 112.195 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 70.5 m -138.95 31.27 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -138.51 -179.89 6.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 2.3 pp -144.7 139.51 27.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 95.96 91.18 1.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.519 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 18.2 m -97.02 44.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.945 0.402 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 31.8 m-20 61.65 19.18 10.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.116 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -179.75 143.98 0.19 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.884 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.51 146.23 36.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -154.55 149.58 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . . . . . . . . . 11.2 p -167.12 145.26 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -133.61 172.89 12.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 192' ' ' VAL . 15.6 m -141.57 115.98 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -138.77 97.98 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 194' ' ' VAL . 10.8 p -138.74 112.73 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.52 150.71 37.08 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.63 61.89 2.91 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.593 2.195 . . . . 0.0 112.294 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 17.3 m0 59.22 170.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.003 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.823 ' O ' HG23 ' A' ' 166' ' ' VAL . 21.4 t -129.32 153.13 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.041 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -127.88 131.83 49.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 2.6 ttt -132.28 158.25 42.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.614 HG22 ' HG2' ' A' ' 164' ' ' MET . 2.5 pp -135.69 133.78 51.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.189 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -144.18 -175.67 17.52 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -121.89 163.68 18.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.697 0.284 . . . . 0.0 110.861 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -149.57 166.46 29.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.634 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . 0.611 ' O ' HG23 ' A' ' 8' ' ' ILE . 6.5 t80 -156.11 121.3 4.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.862 0.363 . . . . 0.0 110.836 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.496 ' HD3' HD21 ' A' ' 161' ' ' LEU . 6.0 pttp -87.46 140.92 29.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.002 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -110.35 150.42 28.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.811 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 209' ' ' GLU . 1.6 tt -134.91 125.88 27.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . 0.465 ' N ' HD23 ' A' ' 208' ' ' LEU . 0.6 OUTLIER -92.5 -42.3 9.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.814 0.34 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -86.0 90.1 8.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.2 mmtt -132.8 -176.61 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.973 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.495 ' HB2' ' CA ' ' A' ' 54' ' ' ALA . . . -63.7 149.66 46.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.095 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 90.83 0.36 75.17 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.811 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -72.46 129.06 37.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.804 0.335 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -119.22 125.12 48.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.769 HG22 ' HA ' ' A' ' 206' ' ' LYS . 21.8 pt -130.1 150.69 34.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.6 mt -100.08 118.91 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.94 177.34 6.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -156.51 -166.12 15.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.503 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 157.27 152.46 6.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.586 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -80.03 151.22 30.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.43 -177.22 1.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -143.44 114.22 7.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.909 HG12 ' HD2' ' A' ' 18' ' ' PRO . 3.0 t -97.86 145.76 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.439 ' CB ' ' CD ' ' A' ' 18' ' ' PRO . 0.1 OUTLIER -57.6 -63.07 4.2 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.972 -179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.909 ' HD2' HG12 ' A' ' 16' ' ' VAL . 56.7 Cg_endo -70.37 160.16 50.48 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.433 2.089 . . . . 0.0 112.288 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -172.68 -53.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.002 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -108.02 -48.74 3.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 70.4 m -59.68 -70.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.2 t -63.91 90.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.667 ' OG ' HD11 ' A' ' 25' ' ' ILE . 40.2 t -161.02 -46.9 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.0 95.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.667 HD11 ' OG ' ' A' ' 23' ' ' SER . 3.6 mp -126.53 -69.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.4 tttp 53.15 37.16 24.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.259 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.4 mt -176.58 127.74 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -138.89 105.28 5.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -130.93 -129.7 3.1 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.562 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -129.38 162.67 27.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.83 0.347 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.7 89.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.846 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -141.03 122.72 15.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -80.66 148.85 30.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.528 ' O ' HG23 ' A' ' 35' ' ' THR . . . -177.82 37.64 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.523 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 34' ' ' GLY . 0.9 OUTLIER -161.57 35.31 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.82 0.343 . . . . 0.0 110.902 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -92.89 131.93 37.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 61.59 30.86 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.0 p 56.14 104.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.04 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.44 -29.78 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 62.22 174.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.3 t -158.19 36.69 0.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -172.35 121.1 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -106.81 -46.7 3.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -113.33 125.22 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.451 HD13 ' HA ' ' A' ' 45' ' ' LEU . 3.8 mm? -96.7 149.58 21.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -97.61 130.95 10.41 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.08 142.75 50.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.752 0.311 . . . . 0.0 110.848 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.637 HG23 HG22 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -130.11 175.41 8.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.987 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.98 113.7 8.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.76 140.56 38.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -131.46 100.71 5.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.756 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 16.7 mtp -75.01 124.94 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' CB ' ' HB3' ' A' ' 57' ' ' TRP . 0.5 OUTLIER -115.4 172.3 7.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' CA ' ' HB2' ' A' ' 4' ' ' ALA . . . -59.12 154.46 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.742 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.437 ' O ' ' CB ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER 78.47 -60.27 0.4 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.002 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' CB ' ' O ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 160.09 47.41 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.535 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -100.27 142.21 32.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.043 -179.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -143.75 120.45 1.48 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.468 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.6 t -101.87 113.09 37.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.784 0.326 . . . . 0.0 111.022 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -102.0 145.03 29.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -146.63 108.85 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.568 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.637 HG22 HG23 ' A' ' 48' ' ' THR . 21.6 t -90.84 138.92 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.276 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -166.02 138.11 3.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.988 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.16 148.02 46.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.9 t -76.12 140.45 69.8 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.61 -40.18 1.15 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.54 2.16 . . . . 0.0 112.336 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -145.49 108.67 4.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.829 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -147.87 105.21 3.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -115.67 -40.48 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -122.45 132.92 54.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.0 m -98.47 30.55 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -116.22 -39.04 3.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.7 p -151.46 149.16 14.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -102.33 -33.36 9.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 152.61 137.14 2.49 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -132.58 160.35 36.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -106.05 117.26 5.39 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.395 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.55 -42.14 57.29 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.414 2.076 . . . . 0.0 112.345 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 169.19 41.54 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.31 158.48 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.823 0.344 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.32 138.43 33.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 178.27 148.22 7.37 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.558 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.672 ' HD2' ' HB2' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -109.49 -29.06 8.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.788 0.327 . . . . 0.0 110.962 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 tp 63.12 38.92 10.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.837 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.672 ' HB2' ' HD2' ' A' ' 83' ' ' LYS . . . -66.6 112.49 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -164.57 173.22 12.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.4 tp -163.85 137.75 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.03 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -163.85 129.77 3.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.3 164.53 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 11.1 mp -99.64 163.03 19.29 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.618 ' HG3' HG22 ' A' ' 119' ' ' THR . 54.2 Cg_exo -52.13 137.4 54.33 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.523 2.149 . . . . 0.0 112.364 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.09 126.43 33.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.411 HG22 HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.54 111.8 24.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.013 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.4 mp -105.02 117.47 34.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.636 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.49 HD23 ' HA3' ' A' ' 115' ' ' GLY . 1.2 mt -126.17 152.96 45.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.5 mt -126.07 117.2 22.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.565 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -113.05 170.58 8.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.012 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -141.77 145.61 34.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.731 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.419 ' O ' ' CG ' ' A' ' 99' ' ' TYR . 5.5 p90 -128.34 87.42 55.29 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.28 -45.26 0.89 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.59 2.193 . . . . 0.0 112.241 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 31.5 mmm -77.5 -27.07 51.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -72.56 144.84 36.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 133.54 43.62 0.14 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.206 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.86 -170.75 3.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.763 0.316 . . . . 0.0 110.563 -179.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -85.44 19.08 2.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.462 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 m -74.64 163.41 27.75 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.821 0.343 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -92.16 -27.67 17.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -81.48 118.01 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -108.07 82.08 1.41 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.805 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.68 155.2 54.43 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.619 2.213 . . . . 0.0 112.373 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -168.92 149.41 4.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.41 ' HA3' HD23 ' A' ' 150' ' ' LEU . . . -153.17 155.21 26.0 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.594 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 160.11 -166.22 35.07 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.575 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.5 mp -140.94 -179.01 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.807 0.337 . . . . 0.0 110.779 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.49 ' HA3' HD23 ' A' ' 95' ' ' LEU . . . -158.52 -167.15 18.93 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.697 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 5.0 m -140.5 148.77 21.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -106.93 115.52 30.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -122.2 138.12 54.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.618 HG22 ' HG3' ' A' ' 91' ' ' PRO . 43.2 p -100.91 128.35 46.98 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.24 99.43 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -129.42 138.77 51.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -83.18 139.71 32.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.54 155.59 18.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.54 118.5 6.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -104.98 -40.3 5.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.64 -31.44 70.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.02 145.92 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.84 31.37 6.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -88.31 -30.48 19.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -63.78 -52.62 59.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -58.97 -28.3 66.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -63.29 -25.2 68.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.303 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -62.92 -30.95 71.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.74 45.03 23.61 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.45 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -99.54 170.39 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.3 m -75.05 -59.01 2.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.045 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.45 152.27 7.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 3.6 ttp -103.68 -54.93 2.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.822 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 18.7 tttp 60.96 109.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.671 HD23 ' N ' ' A' ' 141' ' ' GLN . 1.2 tt -64.02 161.53 15.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . 0.671 ' N ' HD23 ' A' ' 140' ' ' LEU . 0.5 OUTLIER 61.71 93.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.448 ' OD1' HG21 ' A' ' 173' ' ' THR . 0.6 OUTLIER -150.04 -50.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.84 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.5 t -80.77 100.05 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' TRP . . . . . . . . . . . . . 57.2 t90 -164.22 121.03 1.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -142.57 -168.13 11.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.656 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' LEU . . . . . 0.822 ' O ' HD12 ' A' ' 146' ' ' LEU . 1.8 pp -130.81 137.21 49.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.814 0.34 . . . . 0.0 110.95 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.578 ' HB1' ' HE1' ' A' ' 167' ' ' TRP . . . -113.51 153.24 29.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.043 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.427 ' HA3' ' CD1' ' A' ' 168' ' ' TYR . . . -116.56 159.37 13.96 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.647 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -156.01 118.35 4.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.457 ' C ' ' HB1' ' A' ' 165' ' ' ALA . 7.2 mt -155.06 125.23 6.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . 172.05 -144.97 8.35 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.563 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 18.4 p90 -149.14 161.61 41.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.913 0.387 . . . . 0.0 110.988 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -112.11 144.74 40.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.836 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' TYR . . . . . 0.449 ' O ' ' HB2' ' A' ' 162' ' ' PHE . 0.6 OUTLIER -120.01 85.2 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.006 0.431 . . . . 0.0 110.99 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' MET . . . . . 0.632 ' HA ' ' HA ' ' A' ' 161' ' ' LEU . 1.7 ptt? -79.75 146.11 32.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.05 -28.68 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.833 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 37.9 t30 75.86 3.96 3.83 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.669 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -48.05 9.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.135 0.493 . . . . 0.0 110.484 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -138.49 -36.05 0.58 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.7 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ALA . . . . . . . . . . . . . . . -165.88 -172.94 2.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.693 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.632 ' HA ' ' HA ' ' A' ' 155' ' ' MET . 0.5 OUTLIER -117.2 173.18 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.947 179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 154' ' ' TYR . 0.2 OUTLIER -119.34 149.98 40.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.894 0.378 . . . . 0.0 111.067 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.32 121.1 24.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.637 ' HG2' HG22 ' A' ' 201' ' ' ILE . 3.1 mtt -132.54 118.79 19.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.714 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 150' ' ' LEU . . . -156.59 -178.36 7.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 8.2 p -101.72 142.07 16.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.783 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' TRP . . . . . 0.578 ' HE1' ' HB1' ' A' ' 147' ' ' ALA . 3.7 t90 -115.96 111.75 20.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' TYR . . . . . 0.427 ' CD1' ' HA3' ' A' ' 148' ' ' GLY . 23.4 m-85 -77.89 137.89 38.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.627 179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.8 161.31 28.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.053 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.53 167.03 10.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ILE . . . . . . . . . . . . . 7.7 mt -87.74 126.51 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -123.34 146.24 48.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' THR . . . . . 0.448 HG21 ' OD1' ' A' ' 142' ' ' ASP . 81.7 p -68.27 129.25 39.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.28 175.5 9.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -127.53 156.52 42.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' SER . . . . . . . . . . . . . 3.4 m 60.55 179.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.7 pt -125.98 148.62 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -89.6 132.68 34.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLY . . . . . . . . . . . . . . . -169.9 -61.17 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.2 142.56 45.39 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.584 2.189 . . . . 0.0 112.265 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 2.5 m -82.39 -44.65 15.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ALA . . . . . . . . . . . . . . . -110.64 164.81 12.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.088 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -177.41 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -147.47 170.19 28.29 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.511 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 21.6 t -78.96 97.92 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.086 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -132.01 -49.75 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.34 31.45 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' THR . . . . . . . . . . . . . 3.7 t -160.22 124.66 3.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -119.12 -42.79 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' VAL . . . . . 0.57 ' O ' HG13 ' A' ' 190' ' ' VAL . 12.1 p -105.83 113.69 43.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -111.08 157.94 19.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' VAL . . . . . . . . . . . . . 3.6 m -106.9 81.95 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -136.28 90.94 2.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' VAL . . . . . 0.597 HG22 ' O ' ' A' ' 194' ' ' VAL . 14.8 p -109.7 38.69 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.967 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.33 85.68 1.72 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' PRO . . . . . 0.666 ' HG2' HG13 ' A' ' 198' ' ' VAL . 96.7 Cg_endo -79.77 3.34 7.65 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.639 2.226 . . . . 0.0 112.837 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 66.81 62.08 0.51 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 0.0 110.745 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' VAL . . . . . 0.666 HG13 ' HG2' ' A' ' 196' ' ' PRO . 9.4 m -83.91 105.87 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.11 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -145.78 138.77 25.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.88 52.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.637 HG22 ' HG2' ' A' ' 164' ' ' MET . 1.6 pt -142.85 113.5 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.018 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' GLY . . . . . . . . . . . . . . . -129.33 -161.41 10.56 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.6 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -121.81 167.46 12.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' GLY . . . . . . . . . . . . . . . -152.45 145.31 12.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.532 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -134.35 131.18 38.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.769 ' HA ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -97.4 133.83 41.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.16 153.35 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 18.7 tp -107.69 149.97 27.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -92.28 153.75 19.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' HIS . . . . . . . . . . . . . 4.7 p-80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.927 179.938 . . . . . . . . 0 0 . 1 stop_ save_